2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate

C67H78Cl2N2O11 — CID 159554948

IUPAC2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate
SMILESC.CCCc1cc(OCCc2nc(-c3ccccc3)oc2C)cc(CCC)c1OC(C(=O)O)c1ccc(Cl)cc1.CCCc1cc(OCCc2nc(-c3ccccc3)oc2C)cc(CCC)c1OC(C(=O)OC)c1ccc(Cl)cc1.CO
InChIInChI=1S/C33H36ClNO5.C32H34ClNO5.CH4O.CH4/c1-5-10-25-20-28(38-19-18-29-22(3)39-32(35-29)24-12-8-7-9-13-24)21-26(11-6-2)30(25)40-31(33(36)37-4)23-14-16-27(34)17-15-23;1-4-9-24-19-27(37-18-17-28-21(3)38-31(34-28)23-11-7-6-8-12-23)20-25(10-5-2)29(24)39-30(32(35)36)22-13-15-26(33)16-14-22;1-2;/h7-9,12-17,20-21,31H,5-6,10-11,18-19H2,1-4H3;6-8,11-16,19-20,30H,4-5,9-10,17-18H2,1-3H3,(H,35,36);2H,1H3;1H4
InChIKeyMFWFMLAYQIOLEC-UHFFFAOYSA-N
MW1158.27 g/mol
LogP16.40
Rot. Bonds26

About 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate

2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate (PubChem CID 159554948) has the molecular formula C67H78Cl2N2O11 and a molecular weight of 1158.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate
PubChem CID159554948
Molecular FormulaC67H78Cl2N2O11
Molecular Weight1158.27 g/mol
Exact Mass1156.50
IUPAC Name2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate
SMILESC.CCCc1cc(OCCc2nc(-c3ccccc3)oc2C)cc(CCC)c1OC(C(=O)O)c1ccc(Cl)cc1.CCCc1cc(OCCc2nc(-c3ccccc3)oc2C)cc(CCC)c1OC(C(=O)OC)c1ccc(Cl)cc1.CO
InChIInChI=1S/C33H36ClNO5.C32H34ClNO5.CH4O.CH4/c1-5-10-25-20-28(38-19-18-29-22(3)39-32(35-29)24-12-8-7-9-13-24)21-26(11-6-2)30(25)40-31(33(36)37-4)23-14-16-27(34)17-15-23;1-4-9-24-19-27(37-18-17-28-21(3)38-31(34-28)23-11-7-6-8-12-23)20-25(10-5-2)29(24)39-30(32(35)36)22-13-15-26(33)16-14-22;1-2;/h7-9,12-17,20-21,31H,5-6,10-11,18-19H2,1-4H3;6-8,11-16,19-20,30H,4-5,9-10,17-18H2,1-3H3,(H,35,36);2H,1H3;1H4
InChIKeyMFWFMLAYQIOLEC-UHFFFAOYSA-N
XLogP16.40
TPSA172.81 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001158.27
LogP ≤ 516.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate with MolForge

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Related Compounds

methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate
CID 46837096
methyl 2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 59948196
dimethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioate
CID 6918417
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-[(propoxycarbonylamino)methyl]phenyl]propanoic acid
CID 58979024
methyl 2-bromo-3-[4-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]propanoate
CID 88600430
3-ethoxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxopropanoic acid
CID 10788402
methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 10714801
3-[2-[(ethoxycarbonylamino)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979424
ethyl (2S)-2-(ethylamino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate;hydrochloride
CID 139706678
sodium;2-(4-chlorophenyl)-2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]acetic acid;methanol;methyl 2-(4-chlorophenyl)-2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]acetate;hydroxide
CID 161124959
N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine
CID 20723597
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate?
The IUPAC name of 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate (CID 159554948) is 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate?
The canonical SMILES for 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate is C.CCCc1cc(OCCc2nc(-c3ccccc3)oc2C)cc(CCC)c1OC(C(=O)O)c1ccc(Cl)cc1.CCCc1cc(OCCc2nc(-c3ccccc3)oc2C)cc(CCC)c1OC(C(=O)OC)c1ccc(Cl)cc1.CO.
What is the InChIKey of 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate?
The InChIKey is MFWFMLAYQIOLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36ClNO5.C32H34ClNO5.CH4O.CH4/c1-5-10-25-20-28(38-19-18-29-22(3)39-32(35-29)24-12-8-7-9-13-24)21-26(11-6-2)30(25)40-31(33(36)37-4)23-14-16-27(34)17-15-23;1-4-9-24-19-27(37-18-17-28-21(3)38-31(34-28)23-11-7-6-8-12-23)20-25(10-5-2)29(24)39-30(32(35)36)22-13-15-26(33)16-14-22;1-2;/h7-9,12-17,20-21,31H,5-6,10-11,18-19H2,1-4H3;6-8,11-16,19-20,30H,4-5,9-10,17-18H2,1-3H3,(H,35,36);2H,1H3;1H4.
What are the key properties of 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate?
2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate has a molecular weight of 1158.27 g/mol, XLogP of 16.40, 26 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetic acid;methane;methanol;methyl 2-(4-chlorophenyl)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,6-dipropylphenoxy]acetate is sourced from PubChem (CID 159554948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).