3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one

C10H10N2O2 — CID 84662527

IUPAC3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one
SMILESNc1cccc(Cc2cc(=O)o[nH]2)c1
InChIInChI=1S/C10H10N2O2/c11-8-3-1-2-7(4-8)5-9-6-10(13)14-12-9/h1-4,6,12H,5,11H2
InChIKeyNCVOJKRVGLPDRN-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.14
Rot. Bonds2

About 3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one

3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one (PubChem CID 84662527) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one
PubChem CID84662527
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one
SMILESNc1cccc(Cc2cc(=O)o[nH]2)c1
InChIInChI=1S/C10H10N2O2/c11-8-3-1-2-7(4-8)5-9-6-10(13)14-12-9/h1-4,6,12H,5,11H2
InChIKeyNCVOJKRVGLPDRN-UHFFFAOYSA-N
XLogP1.14
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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2-Aminocinnamic acid
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3-Phenyl-4-methyl-5-hydroxy-isoxazole
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(4-nitrosoanilino) (E)-3-phenylprop-2-enoate
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4-Aminocinnamic acid, (Z)-
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methyl (E)-3-(3-aminophenyl)acrylate
CID 12394366

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one?
The IUPAC name of 3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one (CID 84662527) is 3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one is Nc1cccc(Cc2cc(=O)o[nH]2)c1.
What is the InChIKey of 3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one?
The InChIKey is NCVOJKRVGLPDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-8-3-1-2-7(4-8)5-9-6-10(13)14-12-9/h1-4,6,12H,5,11H2.
What are the key properties of 3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one?
3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one has a molecular weight of 190.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenyl)methyl]-2H-1,2-oxazol-5-one is sourced from PubChem (CID 84662527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).