5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile

C11H8ClN3O — CID 81325145

IUPAC5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1cc(Cl)cc(-c2nc(C#N)c(N)o2)c1
InChIInChI=1S/C11H8ClN3O/c1-6-2-7(4-8(12)3-6)11-15-9(5-13)10(14)16-11/h2-4H,14H2,1H3
InChIKeyRRVMJAURDRJYOI-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.76
Rot. Bonds1

About 5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile

5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 81325145) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID81325145
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1cc(Cl)cc(-c2nc(C#N)c(N)o2)c1
InChIInChI=1S/C11H8ClN3O/c1-6-2-7(4-8(12)3-6)11-15-9(5-13)10(14)16-11/h2-4H,14H2,1H3
InChIKeyRRVMJAURDRJYOI-UHFFFAOYSA-N
XLogP2.76
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile (CID 81325145) is 5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile is Cc1cc(Cl)cc(-c2nc(C#N)c(N)o2)c1.
What is the InChIKey of 5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is RRVMJAURDRJYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c1-6-2-7(4-8(12)3-6)11-15-9(5-13)10(14)16-11/h2-4H,14H2,1H3.
What are the key properties of 5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 233.66 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 81325145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).