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

C10H5ClN2OS — CID 12006863

IUPAC5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ncoc1Sc1ccc(Cl)cc1
InChIInChI=1S/C10H5ClN2OS/c11-7-1-3-8(4-2-7)15-10-9(5-12)13-6-14-10/h1-4,6H
InChIKeyBEIXHBLTHVBVGM-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.35
Rot. Bonds2

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

5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile (PubChem CID 12006863) has the molecular formula C10H5ClN2OS and a molecular weight of 236.68 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile
PubChem CID12006863
Molecular FormulaC10H5ClN2OS
Molecular Weight236.68 g/mol
Exact Mass235.98
IUPAC Name5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ncoc1Sc1ccc(Cl)cc1
InChIInChI=1S/C10H5ClN2OS/c11-7-1-3-8(4-2-7)15-10-9(5-12)13-6-14-10/h1-4,6H
InChIKeyBEIXHBLTHVBVGM-UHFFFAOYSA-N
XLogP3.35
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile (CID 12006863) is 5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile is N#Cc1ncoc1Sc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile?
The InChIKey is BEIXHBLTHVBVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2OS/c11-7-1-3-8(4-2-7)15-10-9(5-12)13-6-14-10/h1-4,6H.
What are the key properties of 5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile?
5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile has a molecular weight of 236.68 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 12006863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).