N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide

C14H15N3O4 — CID 129355855

IUPACN'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOC1
InChIInChI=1S/C14H15N3O4/c15-7-10-3-1-2-4-11(10)17-13(19)12(18)16-8-14(20)5-6-21-9-14/h1-4,20H,5-6,8-9H2,(H,16,18)(H,17,19)/t14-/m1/s1
InChIKeyARZOZPPQJPOQSW-CQSZACIVSA-N
MW289.29 g/mol
LogP-0.24
Rot. Bonds3

About N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide

N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide (PubChem CID 129355855) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide
PubChem CID129355855
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOC1
InChIInChI=1S/C14H15N3O4/c15-7-10-3-1-2-4-11(10)17-13(19)12(18)16-8-14(20)5-6-21-9-14/h1-4,20H,5-6,8-9H2,(H,16,18)(H,17,19)/t14-/m1/s1
InChIKeyARZOZPPQJPOQSW-CQSZACIVSA-N
XLogP-0.24
TPSA111.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide 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

4-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113338032
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 91624117
N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
CID 119104015
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 129397923
4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
CID 113280537
N'-(2-cyanophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]oxamide
CID 146075191
N'-(5-chloro-2-cyanophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581320
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide
CID 99876513
N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
CID 108501638

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide (CID 129355855) is N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOC1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide?
The InChIKey is ARZOZPPQJPOQSW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15N3O4/c15-7-10-3-1-2-4-11(10)17-13(19)12(18)16-8-14(20)5-6-21-9-14/h1-4,20H,5-6,8-9H2,(H,16,18)(H,17,19)/t14-/m1/s1.
What are the key properties of N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide?
N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide has a molecular weight of 289.29 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide is sourced from PubChem (CID 129355855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).