N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide

C28H22F3N3O3 — CID 58002842

IUPACN-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NC(=O)c2ccno2)C3)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H22F3N3O3/c1-16-3-2-4-23(25(16)17-5-8-20(9-6-17)28(29,30)31)26(35)33-21-10-7-18-13-22(15-19(18)14-21)34-27(36)24-11-12-32-37-24/h2-12,14,22H,13,15H2,1H3,(H,33,35)(H,34,36)/t22-/m1/s1
InChIKeyYKIFYRGPVRXCAM-JOCHJYFZSA-N
MW505.50 g/mol
LogP5.82
Rot. Bonds5

About N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide

N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 58002842) has the molecular formula C28H22F3N3O3 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID58002842
Molecular FormulaC28H22F3N3O3
Molecular Weight505.50 g/mol
Exact Mass505.16
IUPAC NameN-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NC(=O)c2ccno2)C3)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H22F3N3O3/c1-16-3-2-4-23(25(16)17-5-8-20(9-6-17)28(29,30)31)26(35)33-21-10-7-18-13-22(15-19(18)14-21)34-27(36)24-11-12-32-37-24/h2-12,14,22H,13,15H2,1H3,(H,33,35)(H,34,36)/t22-/m1/s1
InChIKeyYKIFYRGPVRXCAM-JOCHJYFZSA-N
XLogP5.82
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.50
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide (CID 58002842) is N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide is Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NC(=O)c2ccno2)C3)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is YKIFYRGPVRXCAM-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H22F3N3O3/c1-16-3-2-4-23(25(16)17-5-8-20(9-6-17)28(29,30)31)26(35)33-21-10-7-18-13-22(15-19(18)14-21)34-27(36)24-11-12-32-37-24/h2-12,14,22H,13,15H2,1H3,(H,33,35)(H,34,36)/t22-/m1/s1.
What are the key properties of N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide?
N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 58002842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).