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

C27H20F3N3O3 — CID 59943900

IUPACN-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1)c1ccno1
InChIInChI=1S/C27H20F3N3O3/c28-27(29,30)19-8-5-16(6-9-19)22-3-1-2-4-23(22)25(34)32-20-10-7-17-13-21(15-18(17)14-20)33-26(35)24-11-12-31-36-24/h1-12,14,21H,13,15H2,(H,32,34)(H,33,35)
InChIKeyOICKUNZEFIZIGQ-UHFFFAOYSA-N
MW491.47 g/mol
LogP5.51
Rot. Bonds5

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

N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 59943900) has the molecular formula C27H20F3N3O3 and a molecular weight of 491.47 g/mol. Its IUPAC name is N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID59943900
Molecular FormulaC27H20F3N3O3
Molecular Weight491.47 g/mol
Exact Mass491.15
IUPAC NameN-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1)c1ccno1
InChIInChI=1S/C27H20F3N3O3/c28-27(29,30)19-8-5-16(6-9-19)22-3-1-2-4-23(22)25(34)32-20-10-7-17-13-21(15-18(17)14-20)33-26(35)24-11-12-31-36-24/h1-12,14,21H,13,15H2,(H,32,34)(H,33,35)
InChIKeyOICKUNZEFIZIGQ-UHFFFAOYSA-N
XLogP5.51
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.47
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide (CID 59943900) is N-[5-[[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-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide is O=C(NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1)c1ccno1.
What is the InChIKey of N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is OICKUNZEFIZIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3O3/c28-27(29,30)19-8-5-16(6-9-19)22-3-1-2-4-23(22)25(34)32-20-10-7-17-13-21(15-18(17)14-20)33-26(35)24-11-12-31-36-24/h1-12,14,21H,13,15H2,(H,32,34)(H,33,35).
What are the key properties of N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide?
N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 491.47 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 59943900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).