(4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one

C17H14N4O2 — CID 11616487

IUPAC(4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1c1cn(-c2ccccc2)nn1
InChIInChI=1S/C17H14N4O2/c22-17-21(15(12-23-17)13-7-3-1-4-8-13)16-11-20(19-18-16)14-9-5-2-6-10-14/h1-11,15H,12H2/t15-/m0/s1
InChIKeyPGXKPHXNNPJCEI-HNNXBMFYSA-N
MW306.33 g/mol
LogP2.97
Rot. Bonds3

About (4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one

(4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one (PubChem CID 11616487) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one
PubChem CID11616487
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name(4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1c1cn(-c2ccccc2)nn1
InChIInChI=1S/C17H14N4O2/c22-17-21(15(12-23-17)13-7-3-1-4-8-13)16-11-20(19-18-16)14-9-5-2-6-10-14/h1-11,15H,12H2/t15-/m0/s1
InChIKeyPGXKPHXNNPJCEI-HNNXBMFYSA-N
XLogP2.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-(1-benzyltriazol-4-yl)-4-phenyl-1,3-oxazolidin-2-one
CID 11681291
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
(4S)-3-[2-(cycloheptylamino)pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89490052
(4S)-3-imidazo[1,2-a]pyridin-7-yl-4-phenyl-1,3-oxazolidin-2-one
CID 51030219
(4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one
CID 58229052
(4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90342888
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 50939051
(4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58229011
(4R)-3-(3-methyl-1H-inden-2-yl)-4-phenyl-1,3-oxazolidin-2-one
CID 102208888
(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one
CID 67036290
(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 11588253
4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide
CID 139263935

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one (CID 11616487) is (4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccccc2)N1c1cn(-c2ccccc2)nn1.
What is the InChIKey of (4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is PGXKPHXNNPJCEI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-17-21(15(12-23-17)13-7-3-1-4-8-13)16-11-20(19-18-16)14-9-5-2-6-10-14/h1-11,15H,12H2/t15-/m0/s1.
What are the key properties of (4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one?
(4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 306.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-3-(1-phenyltriazol-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11616487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).