5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide

C28H22F3N3O3 — CID 70166718

IUPAC5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1nc(-c2ccccc2)oc1-c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C28H22F3N3O3/c29-28(30,31)22-9-5-4-8-20(22)16-32-26(36)23-24(37-27(34-23)19-6-2-1-3-7-19)17-12-14-21(15-13-17)33-25(35)18-10-11-18/h1-9,12-15,18H,10-11,16H2,(H,32,36)(H,33,35)
InChIKeyVBRBCMUIUFFOJB-UHFFFAOYSA-N
MW505.50 g/mol
LogP6.31
Rot. Bonds7

About 5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide

5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 70166718) has the molecular formula C28H22F3N3O3 and a molecular weight of 505.50 g/mol. Its IUPAC name is 5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID70166718
Molecular FormulaC28H22F3N3O3
Molecular Weight505.50 g/mol
Exact Mass505.16
IUPAC Name5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1nc(-c2ccccc2)oc1-c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C28H22F3N3O3/c29-28(30,31)22-9-5-4-8-20(22)16-32-26(36)23-24(37-27(34-23)19-6-2-1-3-7-19)17-12-14-21(15-13-17)33-25(35)18-10-11-18/h1-9,12-15,18H,10-11,16H2,(H,32,36)(H,33,35)
InChIKeyVBRBCMUIUFFOJB-UHFFFAOYSA-N
XLogP6.31
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.50
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
CID 142162557
5-[4-(dimethylamino)phenyl]-2-(2-phenylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 70164871
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447717
N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 52936954
tert-butyl-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]carbamic acid
CID 67331195
2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3421131
2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3483922
5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 70166545
4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148389

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 70166718) is 5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1nc(-c2ccccc2)oc1-c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VBRBCMUIUFFOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N3O3/c29-28(30,31)22-9-5-4-8-20(22)16-32-26(36)23-24(37-27(34-23)19-6-2-1-3-7-19)17-12-14-21(15-13-17)33-25(35)18-10-11-18/h1-9,12-15,18H,10-11,16H2,(H,32,36)(H,33,35).
What are the key properties of 5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70166718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).