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

C9H7ClN2O — CID 3382841

IUPAC3-(3-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C9H7ClN2O/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKeyLSTPIZJDZXGQFB-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.58
Rot. Bonds1

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

3-(3-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 3382841) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID3382841
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name3-(3-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C9H7ClN2O/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKeyLSTPIZJDZXGQFB-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-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117282839
5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole
CID 139270190
3-(3-nitrophenyl)-1,2-oxazol-5-amine
CID 20983345
2-[3-(5-amino-1,2-oxazol-3-yl)phenyl]ethanol
CID 115112295
6-(3-chlorophenyl)pyridin-2-amine
CID 61230327
3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine
CID 117394464
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117345808
N-[3-(5-amino-1,2-oxazol-3-yl)phenyl]-N-methylmethanesulfonamide
CID 117421417
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117406065
3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434460

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-1,2-oxazol-5-amine (CID 3382841) is 3-(3-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 3-(3-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is LSTPIZJDZXGQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,11H2.
What are the key properties of 3-(3-chlorophenyl)-1,2-oxazol-5-amine?
3-(3-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-(3-chlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3382841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).