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

C14H14N2O3 — CID 141303370

IUPAC(4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1nocc1CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C14H14N2O3/c1-10-12(8-19-15-10)7-16-13(9-18-14(16)17)11-5-3-2-4-6-11/h2-6,8,13H,7,9H2,1H3/t13-/m1/s1
InChIKeySKPSZLARRUKSJU-CYBMUJFWSA-N
MW258.28 g/mol
LogP2.68
Rot. Bonds3

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

(4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 141303370) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID141303370
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1nocc1CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C14H14N2O3/c1-10-12(8-19-15-10)7-16-13(9-18-14(16)17)11-5-3-2-4-6-11/h2-6,8,13H,7,9H2,1H3/t13-/m1/s1
InChIKeySKPSZLARRUKSJU-CYBMUJFWSA-N
XLogP2.68
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(3-methyl-1,2-oxazol-4-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-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72874900
(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
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156607205
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetamide
CID 156605717
2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid
CID 70989644
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
(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 11588253
(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one
CID 72911799
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetamide
CID 156605712

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one (CID 141303370) is (4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one is Cc1nocc1CN1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SKPSZLARRUKSJU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-12(8-19-15-10)7-16-13(9-18-14(16)17)11-5-3-2-4-6-11/h2-6,8,13H,7,9H2,1H3/t13-/m1/s1.
What are the key properties of (4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 258.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 141303370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).