N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide

C12H13N3O3 — CID 112737330

IUPACN-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide
SMILESN#Cc1cccc(NC(=O)CN2C[C@@H](O)CO2)c1
InChIInChI=1S/C12H13N3O3/c13-5-9-2-1-3-10(4-9)14-12(17)7-15-6-11(16)8-18-15/h1-4,11,16H,6-8H2,(H,14,17)/t11-/m1/s1
InChIKeyVSMBVUZNSCEUCE-LLVKDONJSA-N
MW247.25 g/mol
LogP0.10
Rot. Bonds3

About N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide

N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide (PubChem CID 112737330) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide
PubChem CID112737330
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide
SMILESN#Cc1cccc(NC(=O)CN2C[C@@H](O)CO2)c1
InChIInChI=1S/C12H13N3O3/c13-5-9-2-1-3-10(4-9)14-12(17)7-15-6-11(16)8-18-15/h1-4,11,16H,6-8H2,(H,14,17)/t11-/m1/s1
InChIKeyVSMBVUZNSCEUCE-LLVKDONJSA-N
XLogP0.10
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
N-(4-chlorophenyl)-2-(4-hydroxy-1,2-oxazolidin-2-yl)acetamide
CID 112737124
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide
CID 115644362
N-(4-ethylphenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide
CID 112737306
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide (CID 112737330) is N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide is N#Cc1cccc(NC(=O)CN2C[C@@H](O)CO2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide?
The InChIKey is VSMBVUZNSCEUCE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13N3O3/c13-5-9-2-1-3-10(4-9)14-12(17)7-15-6-11(16)8-18-15/h1-4,11,16H,6-8H2,(H,14,17)/t11-/m1/s1.
What are the key properties of N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide?
N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide has a molecular weight of 247.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]acetamide is sourced from PubChem (CID 112737330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).