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

C14H12ClN3O2 — CID 18822676

IUPAC2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc(Cl)c2)oc1N1CCOCC1
InChIInChI=1S/C14H12ClN3O2/c15-11-3-1-2-10(8-11)13-17-12(9-16)14(20-13)18-4-6-19-7-5-18/h1-3,8H,4-7H2
InChIKeyUWQNBBPTAVUZHO-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.70
Rot. Bonds2

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

2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (PubChem CID 18822676) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
PubChem CID18822676
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc(Cl)c2)oc1N1CCOCC1
InChIInChI=1S/C14H12ClN3O2/c15-11-3-1-2-10(8-11)13-17-12(9-16)14(20-13)18-4-6-19-7-5-18/h1-3,8H,4-7H2
InChIKeyUWQNBBPTAVUZHO-UHFFFAOYSA-N
XLogP2.70
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (CID 18822676) is 2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccc(Cl)c2)oc1N1CCOCC1.
What is the InChIKey of 2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is UWQNBBPTAVUZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-3-1-2-10(8-11)13-17-12(9-16)14(20-13)18-4-6-19-7-5-18/h1-3,8H,4-7H2.
What are the key properties of 2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 289.72 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 18822676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).