1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea

C89H72F18N12O10 — CID 157098387

IUPAC1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
SMILESCc1cc(NC(=O)NC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1.Cc1onc(NC(=O)NC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c1C.O=C(Nc1n[nH]c(C2CC2)n1)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C33H26F6N4O3.C28H23F6N5O3.C28H23F6N3O4/c1-22-18-29(43(42-22)26-14-6-3-7-15-26)40-30(44)41-31(21-23-10-4-2-5-11-23,24-12-8-16-27(19-24)45-32(34,35)36)25-13-9-17-28(20-25)46-33(37,38)39;29-27(30,31)41-21-10-4-8-19(14-21)26(16-17-6-2-1-3-7-17,20-9-5-11-22(15-20)42-28(32,33)34)37-25(40)36-24-35-23(38-39-24)18-12-13-18;1-17-18(2)41-37-24(17)35-25(38)36-26(16-19-8-4-3-5-9-19,20-10-6-12-22(14-20)39-27(29,30)31)21-11-7-13-23(15-21)40-28(32,33)34/h2-20H,21H2,1H3,(H2,40,41,44);1-11,14-15,18H,12-13,16H2,(H3,35,36,37,38,39,40);3-15H,16H2,1-2H3,(H2,35,36,37,38)
InChIKeyAFMAEYFNCQDCNU-UHFFFAOYSA-N
MW1811.59 g/mol
LogP22.47
Rot. Bonds26

About 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea

1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea (PubChem CID 157098387) has the molecular formula C89H72F18N12O10 and a molecular weight of 1811.59 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
PubChem CID157098387
Molecular FormulaC89H72F18N12O10
Molecular Weight1811.59 g/mol
Exact Mass1810.52
IUPAC Name1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
SMILESCc1cc(NC(=O)NC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1.Cc1onc(NC(=O)NC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c1C.O=C(Nc1n[nH]c(C2CC2)n1)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C33H26F6N4O3.C28H23F6N5O3.C28H23F6N3O4/c1-22-18-29(43(42-22)26-14-6-3-7-15-26)40-30(44)41-31(21-23-10-4-2-5-11-23,24-12-8-16-27(19-24)45-32(34,35)36)25-13-9-17-28(20-25)46-33(37,38)39;29-27(30,31)41-21-10-4-8-19(14-21)26(16-17-6-2-1-3-7-17,20-9-5-11-22(15-20)42-28(32,33)34)37-25(40)36-24-35-23(38-39-24)18-12-13-18;1-17-18(2)41-37-24(17)35-25(38)36-26(16-19-8-4-3-5-9-19,20-10-6-12-22(14-20)39-27(29,30)31)21-11-7-13-23(15-21)40-28(32,33)34/h2-20H,21H2,1H3,(H2,40,41,44);1-11,14-15,18H,12-13,16H2,(H3,35,36,37,38,39,40);3-15H,16H2,1-2H3,(H2,35,36,37,38)
InChIKeyAFMAEYFNCQDCNU-UHFFFAOYSA-N
XLogP22.47
TPSA264.19 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001811.59
LogP ≤ 522.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea with MolForge

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Related Compounds

1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 59459229
methyl 2-[[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamoylamino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 58898103
1-cyclopentyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 23582398
1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 23582339
2-[4-[2-(cyclopentylcarbamoylamino)-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]acetic acid
CID 59458652
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 123311618
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56844199
methyl (2S)-4-methyl-2-[[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamoylamino]pentanoate
CID 59458834
1-[1-(5-hydroxy-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-propan-2-ylurea
CID 143473954
methyl (2S,4R)-4-methoxy-1-[[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 89304523
1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea
CID 59192651
3-chloro-2-fluoro-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 59458504

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea (CID 157098387) is 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea is Cc1cc(NC(=O)NC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1.Cc1onc(NC(=O)NC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c1C.O=C(Nc1n[nH]c(C2CC2)n1)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea?
The InChIKey is AFMAEYFNCQDCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F6N4O3.C28H23F6N5O3.C28H23F6N3O4/c1-22-18-29(43(42-22)26-14-6-3-7-15-26)40-30(44)41-31(21-23-10-4-2-5-11-23,24-12-8-16-27(19-24)45-32(34,35)36)25-13-9-17-28(20-25)46-33(37,38)39;29-27(30,31)41-21-10-4-8-19(14-21)26(16-17-6-2-1-3-7-17,20-9-5-11-22(15-20)42-28(32,33)34)37-25(40)36-24-35-23(38-39-24)18-12-13-18;1-17-18(2)41-37-24(17)35-25(38)36-26(16-19-8-4-3-5-9-19,20-10-6-12-22(14-20)39-27(29,30)31)21-11-7-13-23(15-21)40-28(32,33)34/h2-20H,21H2,1H3,(H2,40,41,44);1-11,14-15,18H,12-13,16H2,(H3,35,36,37,38,39,40);3-15H,16H2,1-2H3,(H2,35,36,37,38).
What are the key properties of 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea?
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea has a molecular weight of 1811.59 g/mol, XLogP of 22.47, 26 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea;1-(5-methyl-2-phenylpyrazol-3-yl)-3-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea is sourced from PubChem (CID 157098387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).