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

C10H9ClN2O — CID 2764163

IUPAC[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5H,6,12H2
InChIKeyTWDAWKIAUQCSLF-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.45
Rot. Bonds2

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

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine (PubChem CID 2764163) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine
PubChem CID2764163
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5H,6,12H2
InChIKeyTWDAWKIAUQCSLF-UHFFFAOYSA-N
XLogP2.45
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 653647
Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-
CID 21369
3-(Chloromethyl)-5-phenyl-1,2-oxazole
CID 1484769
5-Amino-3-(4-chlorophenyl)isoxazole
CID 2104062
2-chloro-N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}acetamide
CID 1477188
N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-2-methylpropanamide
CID 1484363
1-[3-(2,4-Dichlorophenyl)-5-methylisoxazol-4-yl]ethan-1-one
CID 2745589
4-[3-(4-Chlorophenyl)-5-methyl-4-isoxazolyl]-2-pyrimidinethiol
CID 2745681
3-(4-Chlorophenyl)-5-{[(cyclopropylcarbonyl)oxy]ethanimidoyl}isoxazole
CID 6346448
3-(4-Chlorophenyl)-5-{[(3-methylbutanoyl)oxy]ethanimidoyl}isoxazole
CID 6385992

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine (CID 2764163) is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine is NCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine?
The InChIKey is TWDAWKIAUQCSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5H,6,12H2.
What are the key properties of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine?
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine has a molecular weight of 208.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 2764163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).