7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid

C116H112F12N14O20S — CID 158672437

IUPAC7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid
SMILESCCCc1c(OCCCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2ccc3ccn(Cc4nn[nH]n4)c3c2)ccc2c(C(F)(F)F)noc12.O=C(O)Cn1ccc2c(OCCCOc3ccnc4cc(C(F)(F)F)ccc34)cccc21.O=C(O)Cn1ccc2c(OCCCSc3ccncc3)cccc21
InChIInChI=1S/C26H27F3N2O5.C25H25F3N2O5.C24H23F3N6O3.C23H19F3N2O4.C18H18N2O3S/c1-2-7-18-22(11-10-19-24(18)36-30-25(19)26(27,28)29)35-15-5-3-4-14-34-21-9-6-8-20-17(21)12-13-31(20)16-23(32)33;1-2-6-17-21(10-9-18-23(17)35-29-24(18)25(26,27)28)34-14-4-3-13-33-20-8-5-7-19-16(20)11-12-30(19)15-22(31)32;1-2-4-17-20(8-7-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-6-5-15-9-10-33(19(15)13-16)14-21-28-31-32-29-21;24-23(25,26)15-5-6-16-18(13-15)27-9-7-21(16)32-12-2-11-31-20-4-1-3-19-17(20)8-10-28(19)14-22(29)30;21-18(22)13-20-10-7-15-16(20)3-1-4-17(15)23-11-2-12-24-14-5-8-19-9-6-14/h6,8-13H,2-5,7,14-16H2,1H3,(H,32,33);5,7-12H,2-4,6,13-15H2,1H3,(H,31,32);5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32);1,3-10,13H,2,11-12,14H2,(H,29,30);1,3-10H,2,11-13H2,(H,21,22)
InChIKeyIECOBFKNQUSMQJ-UHFFFAOYSA-N
MW2282.29 g/mol
LogP26.53
Rot. Bonds49

About 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid

7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid (PubChem CID 158672437) has the molecular formula C116H112F12N14O20S and a molecular weight of 2282.29 g/mol. Its IUPAC name is 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid
PubChem CID158672437
Molecular FormulaC116H112F12N14O20S
Molecular Weight2282.29 g/mol
Exact Mass2280.77
IUPAC Name7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid
SMILESCCCc1c(OCCCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2ccc3ccn(Cc4nn[nH]n4)c3c2)ccc2c(C(F)(F)F)noc12.O=C(O)Cn1ccc2c(OCCCOc3ccnc4cc(C(F)(F)F)ccc34)cccc21.O=C(O)Cn1ccc2c(OCCCSc3ccncc3)cccc21
InChIInChI=1S/C26H27F3N2O5.C25H25F3N2O5.C24H23F3N6O3.C23H19F3N2O4.C18H18N2O3S/c1-2-7-18-22(11-10-19-24(18)36-30-25(19)26(27,28)29)35-15-5-3-4-14-34-21-9-6-8-20-17(21)12-13-31(20)16-23(32)33;1-2-6-17-21(10-9-18-23(17)35-29-24(18)25(26,27)28)34-14-4-3-13-33-20-8-5-7-19-16(20)11-12-30(19)15-22(31)32;1-2-4-17-20(8-7-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-6-5-15-9-10-33(19(15)13-16)14-21-28-31-32-29-21;24-23(25,26)15-5-6-16-18(13-15)27-9-7-21(16)32-12-2-11-31-20-4-1-3-19-17(20)8-10-28(19)14-22(29)30;21-18(22)13-20-10-7-15-16(20)3-1-4-17(15)23-11-2-12-24-14-5-8-19-9-6-14/h6,8-13H,2-5,7,14-16H2,1H3,(H,32,33);5,7-12H,2-4,6,13-15H2,1H3,(H,31,32);5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32);1,3-10,13H,2,11-12,14H2,(H,29,30);1,3-10H,2,11-13H2,(H,21,22)
InChIKeyIECOBFKNQUSMQJ-UHFFFAOYSA-N
XLogP26.53
TPSA415.25 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds49
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.29
LogP ≤ 526.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid?
The IUPAC name of 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid (CID 158672437) is 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid?
The canonical SMILES for 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid is CCCc1c(OCCCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2ccc3ccn(Cc4nn[nH]n4)c3c2)ccc2c(C(F)(F)F)noc12.O=C(O)Cn1ccc2c(OCCCOc3ccnc4cc(C(F)(F)F)ccc34)cccc21.O=C(O)Cn1ccc2c(OCCCSc3ccncc3)cccc21.
What is the InChIKey of 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid?
The InChIKey is IECOBFKNQUSMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O5.C25H25F3N2O5.C24H23F3N6O3.C23H19F3N2O4.C18H18N2O3S/c1-2-7-18-22(11-10-19-24(18)36-30-25(19)26(27,28)29)35-15-5-3-4-14-34-21-9-6-8-20-17(21)12-13-31(20)16-23(32)33;1-2-6-17-21(10-9-18-23(17)35-29-24(18)25(26,27)28)34-14-4-3-13-33-20-8-5-7-19-16(20)11-12-30(19)15-22(31)32;1-2-4-17-20(8-7-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-6-5-15-9-10-33(19(15)13-16)14-21-28-31-32-29-21;24-23(25,26)15-5-6-16-18(13-15)27-9-7-21(16)32-12-2-11-31-20-4-1-3-19-17(20)8-10-28(19)14-22(29)30;21-18(22)13-20-10-7-15-16(20)3-1-4-17(15)23-11-2-12-24-14-5-8-19-9-6-14/h6,8-13H,2-5,7,14-16H2,1H3,(H,32,33);5,7-12H,2-4,6,13-15H2,1H3,(H,31,32);5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32);1,3-10,13H,2,11-12,14H2,(H,29,30);1,3-10H,2,11-13H2,(H,21,22).
What are the key properties of 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid?
7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid has a molecular weight of 2282.29 g/mol, XLogP of 26.53, 49 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-6-[3-[1-(2H-tetrazol-5-ylmethyl)indol-6-yl]oxypropoxy]-3-(trifluoromethyl)-1,2-benzoxazole;2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid;2-[4-[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentoxy]indol-1-yl]acetic acid;2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid;2-[4-[3-[7-(trifluoromethyl)quinolin-4-yl]oxypropoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 158672437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).