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

C9H7ClN2O — CID 2104062

IUPAC3-(4-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKeyKRQFEURBUJROHA-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.58
Rot. Bonds1

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

3-(4-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 2104062) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID2104062
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name3-(4-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKeyKRQFEURBUJROHA-UHFFFAOYSA-N
XLogP2.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-4-phenylisoxazol-5-amine
CID 1382046
3-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
5-Amino-3-phenylisoxazole
CID 261201
3-(4-Methylphenyl)-1,2-oxazol-5-amine
CID 576446
3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 653647
Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-
CID 21369
3-(4-Bromophenyl)-1,2-oxazol-5-amine
CID 5204254
N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-2-methylpropanamide
CID 1484363
3-(4-Chlorophenyl)-5-{[(cyclopropylcarbonyl)oxy]ethanimidoyl}isoxazole
CID 6346448
3-(4-Chlorophenyl)-5-{[(3-methylbutanoyl)oxy]ethanimidoyl}isoxazole
CID 6385992
3-(2,5-Dichlorophenyl)-5-methyl-1,2-oxazole
CID 44523018
N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}acetamide
CID 1484414

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-1,2-oxazol-5-amine (CID 2104062) is 3-(4-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is KRQFEURBUJROHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2.
What are the key properties of 3-(4-chlorophenyl)-1,2-oxazol-5-amine?
3-(4-chlorophenyl)-1,2-oxazol-5-amine has a molecular weight of 194.62 g/mol, XLogP of 2.58, 1 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-amine is sourced from PubChem (CID 2104062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).