3-(4-aminophenyl)-2H-1,2-oxazol-5-one

C9H8N2O2 — CID 84655454

IUPAC3-(4-aminophenyl)-2H-1,2-oxazol-5-one
SMILESNc1ccc(-c2cc(=O)o[nH]2)cc1
InChIInChI=1S/C9H8N2O2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-5,11H,10H2
InChIKeyJUDPCHMPBGRSIG-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.22
Rot. Bonds1

About 3-(4-aminophenyl)-2H-1,2-oxazol-5-one

3-(4-aminophenyl)-2H-1,2-oxazol-5-one (PubChem CID 84655454) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-(4-aminophenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-2H-1,2-oxazol-5-one
PubChem CID84655454
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name3-(4-aminophenyl)-2H-1,2-oxazol-5-one
SMILESNc1ccc(-c2cc(=O)o[nH]2)cc1
InChIInChI=1S/C9H8N2O2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-5,11H,10H2
InChIKeyJUDPCHMPBGRSIG-UHFFFAOYSA-N
XLogP1.22
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.22
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

3-phenyl-2H-1,2-oxazol-5-one
CID 157064774
6-(4-aminophenyl)-1H-pyrimidine-2,4-dione
CID 20980738
5-(4-aminophenyl)-1H-pyrrole-2-carboxylic acid
CID 117223058
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
benzene-1,4-diamine;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
CID 159673650
4-N-[4-[5-[4-(4-amino-N-methylanilino)phenyl]-1H-pyrrol-2-yl]phenyl]-4-N-methylbenzene-1,4-diamine
CID 142315294
4-(5-methyl-1H-indol-2-yl)aniline
CID 15322512
acetylene;4-(4-aminophenyl)aniline
CID 18766839
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
3-(2,4-dimethoxyphenyl)-2H-1,2-oxazol-5-one
CID 75359348
4-(4-aminophenyl)aniline;chloromethane
CID 174340925

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(4-aminophenyl)-2H-1,2-oxazol-5-one (CID 84655454) is 3-(4-aminophenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(4-aminophenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(4-aminophenyl)-2H-1,2-oxazol-5-one is Nc1ccc(-c2cc(=O)o[nH]2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-2H-1,2-oxazol-5-one?
The InChIKey is JUDPCHMPBGRSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-5,11H,10H2.
What are the key properties of 3-(4-aminophenyl)-2H-1,2-oxazol-5-one?
3-(4-aminophenyl)-2H-1,2-oxazol-5-one has a molecular weight of 176.17 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 84655454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).