5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one

C24H22N4O2 — CID 123332543

IUPAC5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccn2c(-c3ccc(N4C(=O)OC(C)(C)C4c4ccccc4)cc3)nnc2c1
InChIInChI=1S/C24H22N4O2/c1-16-13-14-27-20(15-16)25-26-22(27)18-9-11-19(12-10-18)28-21(17-7-5-4-6-8-17)24(2,3)30-23(28)29/h4-15,21H,1-3H3
InChIKeyACCQJPZWFSVOLC-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.18
Rot. Bonds3

About 5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one

5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 123332543) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID123332543
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccn2c(-c3ccc(N4C(=O)OC(C)(C)C4c4ccccc4)cc3)nnc2c1
InChIInChI=1S/C24H22N4O2/c1-16-13-14-27-20(15-16)25-26-22(27)18-9-11-19(12-10-18)28-21(17-7-5-4-6-8-17)24(2,3)30-23(28)29/h4-15,21H,1-3H3
InChIKeyACCQJPZWFSVOLC-UHFFFAOYSA-N
XLogP5.18
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4s)-3-{4-[6-Amino-5-(Pyrimidin-2-Yl)pyridin-3-Yl]phenyl}-5,5-Dimethyl-4-Phenyl-1,3-Oxazolidin-2-One
CID 72193935
tert-butyl 5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-1-carboxylate
CID 24905185
4-{4-[8-(3-Dimethylamino-phenyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperidine-1-carboxylic acid tert-butyl ester
CID 49839726
4-{4-[8-(4-Fluoro-phenyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperidine-1-carboxylic acid tert-butyl ester
CID 59612413
(4S)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489760
(4R)-4-methyl-4-phenyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489871
(S)-3-(3-((1,5-naphthyridin-4-yl)amino)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5,5-dimethyl-4-phenyloxazolidin-2-one
CID 89815238
(S)-3-(4-(5-([1,2,4]Triazolo[4,3-b]pyridazin-6-yl)-6-aminopyridin-3-yl)phenyl)-5,5-dimethyl-4-phenyloxazolidin-2-one
CID 89815316
N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 89815397
(4S)-5,5-dimethyl-4-phenyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohexyl]-1,3-oxazolidin-2-one
CID 89827461
N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 89827532
(4R)-4-methyl-4-phenyl-3-[2-[[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90347578

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one (CID 123332543) is 5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one is Cc1ccn2c(-c3ccc(N4C(=O)OC(C)(C)C4c4ccccc4)cc3)nnc2c1.
What is the InChIKey of 5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ACCQJPZWFSVOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-13-14-27-20(15-16)25-26-22(27)18-9-11-19(12-10-18)28-21(17-7-5-4-6-8-17)24(2,3)30-23(28)29/h4-15,21H,1-3H3.
What are the key properties of 5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?
5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 398.47 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123332543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).