(4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one

C14H16N4O2 — CID 72874900

IUPAC(4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1nc(CN2C(=O)OC[C@@H]2c2ccccc2)n(C)n1
InChIInChI=1S/C14H16N4O2/c1-10-15-13(17(2)16-10)8-18-12(9-20-14(18)19)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyQHPNNNZMNGTNIN-GFCCVEGCSA-N
MW272.31 g/mol
LogP1.82
Rot. Bonds3

About (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 72874900) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID72874900
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1nc(CN2C(=O)OC[C@@H]2c2ccccc2)n(C)n1
InChIInChI=1S/C14H16N4O2/c1-10-15-13(17(2)16-10)8-18-12(9-20-14(18)19)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyQHPNNNZMNGTNIN-GFCCVEGCSA-N
XLogP1.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
(4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 141303370
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetamide
CID 156605712
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
CID 72929537
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156607205
3-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156603139
N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
CID 72860834
tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate
CID 68742224
(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one
CID 72911799
(4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72928233

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one (CID 72874900) is (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one is Cc1nc(CN2C(=O)OC[C@@H]2c2ccccc2)n(C)n1.
What is the InChIKey of (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is QHPNNNZMNGTNIN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-15-13(17(2)16-10)8-18-12(9-20-14(18)19)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 272.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72874900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).