3-aminochromeno[3,4-d][1,2]oxazol-4-one

C10H6N2O3 — CID 102391868

IUPAC3-aminochromeno[3,4-d][1,2]oxazol-4-one
SMILESNc1noc2c1c(=O)oc1ccccc12
InChIInChI=1S/C10H6N2O3/c11-9-7-8(15-12-9)5-3-1-2-4-6(5)14-10(7)13/h1-4H,(H2,11,12)
InChIKeyFWCNQZZWMRAMIZ-UHFFFAOYSA-N
MW202.17 g/mol
LogP1.52
Rot. Bonds

About 3-aminochromeno[3,4-d][1,2]oxazol-4-one

3-aminochromeno[3,4-d][1,2]oxazol-4-one (PubChem CID 102391868) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is 3-aminochromeno[3,4-d][1,2]oxazol-4-one.

Molecular Properties

Compound Name3-aminochromeno[3,4-d][1,2]oxazol-4-one
PubChem CID102391868
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC Name3-aminochromeno[3,4-d][1,2]oxazol-4-one
SMILESNc1noc2c1c(=O)oc1ccccc12
InChIInChI=1S/C10H6N2O3/c11-9-7-8(15-12-9)5-3-1-2-4-6(5)14-10(7)13/h1-4H,(H2,11,12)
InChIKeyFWCNQZZWMRAMIZ-UHFFFAOYSA-N
XLogP1.52
TPSA82.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-aminochromeno[3,4-d][1,2]oxazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-Methoxyphenyl)-1,2-oxazol-3-amine
CID 64983046
2,2,2-trifluoro-N-(4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide
CID 139223114
2,2,2-trifluoro-N-(8-methyl-4-oxochromeno[3,4-d][1,2]oxazol-3-yl)acetamide
CID 139223115
3-phenyl-4H-chromeno[3,4-d]isoxazol-4-one
CID 12377425
5-[2-(Trifluoromethoxy)phenyl]-1,2-oxazol-3-amine
CID 151763500
3-Methylchromeno[3,4-d][1,2]oxazol-4-one
CID 12377423
3-Ethylchromeno[3,4-d][1,2]oxazol-4-one
CID 12377424
8-chloro-3-methyl-4H-chromeno[3,4-d]isoxazol-4-one
CID 13332478
3,7-Dimethylchromeno[3,4-d][1,2]oxazol-4-one
CID 13332479
Chromeno[3,4-d][1,2]oxazol-4-one
CID 86219695
3-Ethyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one
CID 134911723
3-Ethyl-7-methylchromeno[3,4-d][1,2]oxazol-4-one
CID 134911774

Frequently Asked Questions

What is the IUPAC name of 3-aminochromeno[3,4-d][1,2]oxazol-4-one?
The IUPAC name of 3-aminochromeno[3,4-d][1,2]oxazol-4-one (CID 102391868) is 3-aminochromeno[3,4-d][1,2]oxazol-4-one.
What is the SMILES notation for 3-aminochromeno[3,4-d][1,2]oxazol-4-one?
The canonical SMILES for 3-aminochromeno[3,4-d][1,2]oxazol-4-one is Nc1noc2c1c(=O)oc1ccccc12.
What is the InChIKey of 3-aminochromeno[3,4-d][1,2]oxazol-4-one?
The InChIKey is FWCNQZZWMRAMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c11-9-7-8(15-12-9)5-3-1-2-4-6(5)14-10(7)13/h1-4H,(H2,11,12).
What are the key properties of 3-aminochromeno[3,4-d][1,2]oxazol-4-one?
3-aminochromeno[3,4-d][1,2]oxazol-4-one has a molecular weight of 202.17 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminochromeno[3,4-d][1,2]oxazol-4-one is sourced from PubChem (CID 102391868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).