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

C11H8ClN3O — CID 106864497

IUPAC5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(N)o2)c(Cl)c1
InChIInChI=1S/C11H8ClN3O/c1-6-2-3-7(8(12)4-6)11-15-9(5-13)10(14)16-11/h2-4H,14H2,1H3
InChIKeyLUENOBZCINIRQG-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.76
Rot. Bonds1

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

5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 106864497) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID106864497
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(N)o2)c(Cl)c1
InChIInChI=1S/C11H8ClN3O/c1-6-2-3-7(8(12)4-6)11-15-9(5-13)10(14)16-11/h2-4H,14H2,1H3
InChIKeyLUENOBZCINIRQG-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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Related Compounds

5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009697
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 81325145
5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009904
5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile
CID 102802554
5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
CID 66007412
5-amino-2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carbonitrile
CID 66007820
5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 106860891
2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676754
4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole
CID 106862629
6-(2-chloro-4-methylphenyl)pyridin-2-amine
CID 165447815
6-(2-chloro-4-methylphenyl)pyridin-3-amine
CID 144687572

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile (CID 106864497) is 5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile is Cc1ccc(-c2nc(C#N)c(N)o2)c(Cl)c1.
What is the InChIKey of 5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is LUENOBZCINIRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c1-6-2-3-7(8(12)4-6)11-15-9(5-13)10(14)16-11/h2-4H,14H2,1H3.
What are the key properties of 5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(2-chloro-4-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-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 106864497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).