2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile

C16H17ClN4O2 — CID 939231

IUPAC2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc(Cl)c2)oc1NCCN1CCOCC1
InChIInChI=1S/C16H17ClN4O2/c17-13-3-1-2-12(10-13)15-20-14(11-18)16(23-15)19-4-5-21-6-8-22-9-7-21/h1-3,10,19H,4-9H2
InChIKeySTUZZFCFIZDTDF-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.61
Rot. Bonds5

About 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile

2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 939231) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID939231
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc(Cl)c2)oc1NCCN1CCOCC1
InChIInChI=1S/C16H17ClN4O2/c17-13-3-1-2-12(10-13)15-20-14(11-18)16(23-15)19-4-5-21-6-8-22-9-7-21/h1-3,10,19H,4-9H2
InChIKeySTUZZFCFIZDTDF-UHFFFAOYSA-N
XLogP2.61
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-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 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 939231) is 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccc(Cl)c2)oc1NCCN1CCOCC1.
What is the InChIKey of 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is STUZZFCFIZDTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-13-3-1-2-12(10-13)15-20-14(11-18)16(23-15)19-4-5-21-6-8-22-9-7-21/h1-3,10,19H,4-9H2.
What are the key properties of 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 332.79 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 939231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).