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

C10H5ClN2O — CID 2739769

IUPAC5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C10H5ClN2O/c11-8-3-1-2-7(4-8)10-9(5-12)13-6-14-10/h1-4,6H
InChIKeyACYXNRJSAXGCQE-UHFFFAOYSA-N
MW204.62 g/mol
LogP2.87
Rot. Bonds1

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

5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 2739769) has the molecular formula C10H5ClN2O and a molecular weight of 204.62 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile
PubChem CID2739769
Molecular FormulaC10H5ClN2O
Molecular Weight204.62 g/mol
Exact Mass204.01
IUPAC Name5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C10H5ClN2O/c11-8-3-1-2-7(4-8)10-9(5-12)13-6-14-10/h1-4,6H
InChIKeyACYXNRJSAXGCQE-UHFFFAOYSA-N
XLogP2.87
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile (CID 2739769) is 5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile is N#Cc1ncoc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is ACYXNRJSAXGCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O/c11-8-3-1-2-7(4-8)10-9(5-12)13-6-14-10/h1-4,6H.
What are the key properties of 5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile?
5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 204.62 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2739769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).