2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile

C10H8N2O — CID 117276932

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile
SMILESN#Cc1ccccc1C1=NCCO1
InChIInChI=1S/C10H8N2O/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10/h1-4H,5-6H2
InChIKeyBVFJQGSAUSFUIA-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.34
Rot. Bonds1

About 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile

2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile (PubChem CID 117276932) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile
PubChem CID117276932
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile
SMILESN#Cc1ccccc1C1=NCCO1
InChIInChI=1S/C10H8N2O/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10/h1-4H,5-6H2
InChIKeyBVFJQGSAUSFUIA-UHFFFAOYSA-N
XLogP1.34
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile 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

2-Phenyl-2-oxazoline
CID 244030
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
Mls002667700
CID 244135
2-(4-Methylphenyl)oxazoline
CID 3770227
2-(4-Propylphenyl)-4,5-dihydro-1,3-oxazole
CID 12793312
2-(4-Ethylphenyl)-4,5-dihydrooxazole
CID 66764190
2-(4-Butylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519396
2,2'-(1,2-Phenylene)bis(4,5-dihydro-1,3-oxazole)
CID 19354103
Oxazole, 4,5-dihydro-5-(iodomethyl)-2-phenyl-
CID 11845181
2-(4-Pentylphenyl)-4,5-dihydro-1,3-oxazole
CID 127032080
2-(4-Hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519397

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile (CID 117276932) is 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile is N#Cc1ccccc1C1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile?
The InChIKey is BVFJQGSAUSFUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10/h1-4H,5-6H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile?
2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)benzonitrile is sourced from PubChem (CID 117276932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).