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

C11H8ClN3O — CID 18822680

IUPAC2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2cccc(Cl)c2)nc1C#N
InChIInChI=1S/C11H8ClN3O/c1-14-11-9(6-13)15-10(16-11)7-3-2-4-8(12)5-7/h2-5,14H,1H3
InChIKeyJVOMBGDXAFKVNQ-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.91
Rot. Bonds2

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

2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 18822680) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
PubChem CID18822680
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2cccc(Cl)c2)nc1C#N
InChIInChI=1S/C11H8ClN3O/c1-14-11-9(6-13)15-10(16-11)7-3-2-4-8(12)5-7/h2-5,14H,1H3
InChIKeyJVOMBGDXAFKVNQ-UHFFFAOYSA-N
XLogP2.91
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile (CID 18822680) is 2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile is CNc1oc(-c2cccc(Cl)c2)nc1C#N.
What is the InChIKey of 2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is JVOMBGDXAFKVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c1-14-11-9(6-13)15-10(16-11)7-3-2-4-8(12)5-7/h2-5,14H,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 233.66 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 18822680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).