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

C10H5NO3 — CID 86219695

IUPACchromeno[3,4-d][1,2]oxazol-4-one
SMILESO=c1oc2ccccc2c2oncc12
InChIInChI=1S/C10H5NO3/c12-10-7-5-11-14-9(7)6-3-1-2-4-8(6)13-10/h1-5H
InChIKeyOGSRUOYFJVWVBS-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.93
Rot. Bonds

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

chromeno[3,4-d][1,2]oxazol-4-one (PubChem CID 86219695) has the molecular formula C10H5NO3 and a molecular weight of 187.15 g/mol. Its IUPAC name is chromeno[3,4-d][1,2]oxazol-4-one.

Molecular Properties

Compound Namechromeno[3,4-d][1,2]oxazol-4-one
PubChem CID86219695
Molecular FormulaC10H5NO3
Molecular Weight187.15 g/mol
Exact Mass187.03
IUPAC Namechromeno[3,4-d][1,2]oxazol-4-one
SMILESO=c1oc2ccccc2c2oncc12
InChIInChI=1S/C10H5NO3/c12-10-7-5-11-14-9(7)6-3-1-2-4-8(6)13-10/h1-5H
InChIKeyOGSRUOYFJVWVBS-UHFFFAOYSA-N
XLogP1.93
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl [2-(5-isoxazolyl)phenoxy]acetate
CID 902453
5-(2-Butoxy-phenyl)-isoxazole
CID 11183547
4-(trifluoromethyl)-4H-chromeno[3,4-d][1,2]oxazol-4-ol
CID 16762721
3-phenyl-4H-chromeno[3,4-d]isoxazol-4-one
CID 12377425
Ethyl 5-(4-trifluoromethoxyphenyl)isoxazole-4-carboxylate
CID 22221244
8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole
CID 70356219
5-[2-(Difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid
CID 113276438
5-[2-(Trifluoromethoxy)phenyl]-1,2-oxazole
CID 140278843
Methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
CID 175455125
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

Frequently Asked Questions

What is the IUPAC name of chromeno[3,4-d][1,2]oxazol-4-one?
The IUPAC name of chromeno[3,4-d][1,2]oxazol-4-one (CID 86219695) is chromeno[3,4-d][1,2]oxazol-4-one.
What is the SMILES notation for chromeno[3,4-d][1,2]oxazol-4-one?
The canonical SMILES for chromeno[3,4-d][1,2]oxazol-4-one is O=c1oc2ccccc2c2oncc12.
What is the InChIKey of chromeno[3,4-d][1,2]oxazol-4-one?
The InChIKey is OGSRUOYFJVWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO3/c12-10-7-5-11-14-9(7)6-3-1-2-4-8(6)13-10/h1-5H.
What are the key properties of chromeno[3,4-d][1,2]oxazol-4-one?
chromeno[3,4-d][1,2]oxazol-4-one has a molecular weight of 187.15 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromeno[3,4-d][1,2]oxazol-4-one is sourced from PubChem (CID 86219695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).