N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide

C16H17ClN2O2 — CID 112503058

IUPACN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)no1)C1CCCCC1
InChIInChI=1S/C16H17ClN2O2/c17-13-8-6-11(7-9-13)14-10-15(21-19-14)18-16(20)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,18,20)
InChIKeyPOSQSJFYLWSSAZ-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.51
Rot. Bonds3

About N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide (PubChem CID 112503058) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
PubChem CID112503058
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)no1)C1CCCCC1
InChIInChI=1S/C16H17ClN2O2/c17-13-8-6-11(7-9-13)14-10-15(21-19-14)18-16(20)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,18,20)
InChIKeyPOSQSJFYLWSSAZ-UHFFFAOYSA-N
XLogP4.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide (CID 112503058) is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide is O=C(Nc1cc(-c2ccc(Cl)cc2)no1)C1CCCCC1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide?
The InChIKey is POSQSJFYLWSSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-13-8-6-11(7-9-13)14-10-15(21-19-14)18-16(20)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,18,20).
What are the key properties of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide?
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide has a molecular weight of 304.78 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 112503058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).