5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile

C15H15N3O2 — CID 2910437

IUPAC5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1NCC1CCCO1
InChIInChI=1S/C15H15N3O2/c16-9-13-15(17-10-12-7-4-8-19-12)20-14(18-13)11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-8,10H2
InChIKeyLMUOYJPSHDSLAW-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.80
Rot. Bonds4

About 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile

5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 2910437) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID2910437
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1NCC1CCCO1
InChIInChI=1S/C15H15N3O2/c16-9-13-15(17-10-12-7-4-8-19-12)20-14(18-13)11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-8,10H2
InChIKeyLMUOYJPSHDSLAW-UHFFFAOYSA-N
XLogP2.80
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile (CID 2910437) is 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2)oc1NCC1CCCO1.
What is the InChIKey of 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is LMUOYJPSHDSLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-9-13-15(17-10-12-7-4-8-19-12)20-14(18-13)11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-8,10H2.
What are the key properties of 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile?
5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2910437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).