4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine

C17H21ClN2O — CID 114458193

IUPAC4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
SMILESNc1onc(CC2CCCCCC2)c1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN2O/c18-14-10-6-5-9-13(14)16-15(20-21-17(16)19)11-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11,19H2
InChIKeyOQBLGPMRXXTVMK-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.09
Rot. Bonds3

About 4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine

4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine (PubChem CID 114458193) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
PubChem CID114458193
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
SMILESNc1onc(CC2CCCCCC2)c1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN2O/c18-14-10-6-5-9-13(14)16-15(20-21-17(16)19)11-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11,19H2
InChIKeyOQBLGPMRXXTVMK-UHFFFAOYSA-N
XLogP5.09
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine
CID 114458197
3-(cyclopentylmethyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80524956
4-(2-chlorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827684
3-(2-chlorophenyl)-6-(cyclohexylmethyl)-1,2,4,5-tetrazine
CID 70578729
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198156
5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198154
3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 106687987
5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
CID 66198710
4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 79976164
4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 62276503

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine (CID 114458193) is 4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine is Nc1onc(CC2CCCCCC2)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine?
The InChIKey is OQBLGPMRXXTVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-14-10-6-5-9-13(14)16-15(20-21-17(16)19)11-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11,19H2.
What are the key properties of 4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine?
4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine has a molecular weight of 304.82 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(cycloheptylmethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 114458193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).