[3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine

C12H13ClN2O — CID 83850903

IUPAC[3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine
SMILESCCc1c(-c2ccc(Cl)cc2)noc1CN
InChIInChI=1S/C12H13ClN2O/c1-2-10-11(7-14)16-15-12(10)8-3-5-9(13)6-4-8/h3-6H,2,7,14H2,1H3
InChIKeyDFKAXIGXJSPVRH-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.02
Rot. Bonds3

About [3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine

[3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine (PubChem CID 83850903) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine
PubChem CID83850903
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name[3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine
SMILESCCc1c(-c2ccc(Cl)cc2)noc1CN
InChIInChI=1S/C12H13ClN2O/c1-2-10-11(7-14)16-15-12(10)8-3-5-9(13)6-4-8/h3-6H,2,7,14H2,1H3
InChIKeyDFKAXIGXJSPVRH-UHFFFAOYSA-N
XLogP3.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127036
3-(4-chlorophenyl)-5-propyl-1,2-oxazole-4-carbonyl chloride
CID 139632551
3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine
CID 14023457
[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82128528
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944
[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82371436
[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867191
2-[3-(4-chlorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207565
4-(3-bromoprop-2-ynyl)-3-(4-chlorophenyl)-5-methoxy-1,2-oxazole
CID 154709695
(5-chloro-2,1-benzoxazol-3-yl)methanamine
CID 105440337

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine (CID 83850903) is [3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine is CCc1c(-c2ccc(Cl)cc2)noc1CN.
What is the InChIKey of [3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine?
The InChIKey is DFKAXIGXJSPVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-10-11(7-14)16-15-12(10)8-3-5-9(13)6-4-8/h3-6H,2,7,14H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine?
[3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine has a molecular weight of 236.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 83850903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).