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

C10H6ClN3O — CID 20983351

IUPAC5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)noc1N
InChIInChI=1S/C10H6ClN3O/c11-7-3-1-2-6(4-7)9-8(5-12)10(13)15-14-9/h1-4H,13H2
InChIKeyYXUGRHWYXWQSFG-UHFFFAOYSA-N
MW219.63 g/mol
LogP2.45
Rot. Bonds1

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

5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile (PubChem CID 20983351) has the molecular formula C10H6ClN3O and a molecular weight of 219.63 g/mol. Its IUPAC name is 5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile
PubChem CID20983351
Molecular FormulaC10H6ClN3O
Molecular Weight219.63 g/mol
Exact Mass219.02
IUPAC Name5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)noc1N
InChIInChI=1S/C10H6ClN3O/c11-7-3-1-2-6(4-7)9-8(5-12)10(13)15-14-9/h1-4H,13H2
InChIKeyYXUGRHWYXWQSFG-UHFFFAOYSA-N
XLogP2.45
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile (CID 20983351) is 5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile is N#Cc1c(-c2cccc(Cl)c2)noc1N.
What is the InChIKey of 5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile?
The InChIKey is YXUGRHWYXWQSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O/c11-7-3-1-2-6(4-7)9-8(5-12)10(13)15-14-9/h1-4H,13H2.
What are the key properties of 5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile has a molecular weight of 219.63 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 20983351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).