4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine

C10H10ClN3O — CID 115034238

IUPAC4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine
SMILESNCc1cc(-c2coc(N)n2)ccc1Cl
InChIInChI=1S/C10H10ClN3O/c11-8-2-1-6(3-7(8)4-12)9-5-15-10(13)14-9/h1-3,5H,4,12H2,(H2,13,14)
InChIKeyBZWGMJAFHYSPJV-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.04
Rot. Bonds2

About 4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine

4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine (PubChem CID 115034238) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine
PubChem CID115034238
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine
SMILESNCc1cc(-c2coc(N)n2)ccc1Cl
InChIInChI=1S/C10H10ClN3O/c11-8-2-1-6(3-7(8)4-12)9-5-15-10(13)14-9/h1-3,5H,4,12H2,(H2,13,14)
InChIKeyBZWGMJAFHYSPJV-UHFFFAOYSA-N
XLogP2.04
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine?
The IUPAC name of 4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine (CID 115034238) is 4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine?
The canonical SMILES for 4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine is NCc1cc(-c2coc(N)n2)ccc1Cl.
What is the InChIKey of 4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine?
The InChIKey is BZWGMJAFHYSPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-8-2-1-6(3-7(8)4-12)9-5-15-10(13)14-9/h1-3,5H,4,12H2,(H2,13,14).
What are the key properties of 4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine?
4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine has a molecular weight of 223.66 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-4-chlorophenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 115034238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).