N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide

C19H17N5O3 — CID 87028248

IUPACN-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOC2=O)cc1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C19H17N5O3/c25-18(17-13-24(22-21-17)16-4-2-1-3-5-16)20-15-8-6-14(7-9-15)12-23-10-11-27-19(23)26/h1-9,13H,10-12H2,(H,20,25)
InChIKeyXWOAIAKYTCIWFF-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.47
Rot. Bonds5

About N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide

N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide (PubChem CID 87028248) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide
PubChem CID87028248
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOC2=O)cc1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C19H17N5O3/c25-18(17-13-24(22-21-17)16-4-2-1-3-5-16)20-15-8-6-14(7-9-15)12-23-10-11-27-19(23)26/h1-9,13H,10-12H2,(H,20,25)
InChIKeyXWOAIAKYTCIWFF-UHFFFAOYSA-N
XLogP2.47
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686096
N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
CID 39087725
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 86876348
1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea
CID 86830752
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86821073
N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
CID 46576505
3-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 71942422
N-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-1-phenyltriazole-4-carboxamide
CID 51593261
1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
CID 43429821
3-chloro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 146121578
1-methyl-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]indole-4-carboxamide
CID 71880143
3-naphthalen-1-yl-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]prop-2-enamide
CID 71890191

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide (CID 87028248) is N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide is O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is XWOAIAKYTCIWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c25-18(17-13-24(22-21-17)16-4-2-1-3-5-16)20-15-8-6-14(7-9-15)12-23-10-11-27-19(23)26/h1-9,13H,10-12H2,(H,20,25).
What are the key properties of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide?
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 87028248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).