7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one

C17H11NO3 — CID 134911849

IUPAC7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one
SMILESCc1ccc2c(c1)oc(=O)c1c(-c3ccccc3)noc12
InChIInChI=1S/C17H11NO3/c1-10-7-8-12-13(9-10)20-17(19)14-15(18-21-16(12)14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyLPPDYEPZIAGQFZ-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.91
Rot. Bonds1

About 7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one

7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one (PubChem CID 134911849) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one.

Molecular Properties

Compound Name7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one
PubChem CID134911849
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one
SMILESCc1ccc2c(c1)oc(=O)c1c(-c3ccccc3)noc12
InChIInChI=1S/C17H11NO3/c1-10-7-8-12-13(9-10)20-17(19)14-15(18-21-16(12)14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyLPPDYEPZIAGQFZ-UHFFFAOYSA-N
XLogP3.91
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.91
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

(3-{4-[(3-Phenyl-7-propyl-1,2-benzisoxazol-6-yl)oxy]butoxy}phenyl)acetic acid
CID 11753952
(7-Methyl-2-oxochromen-4-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2539745
3-{3-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-propionic acid
CID 44385399
Phenyl 5-methyl-3-phenylisoxazole-4-carboxylate
CID 729253
5-Methyl-3-phenyl-4-isoxazolecarboxylic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester
CID 16505266
{3-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-acetic acid
CID 44384415
3-{3-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-butoxy]-phenyl}-propionic acid
CID 44385352
[3-(4-Fluorophenyl)-4,9-dioxobenzo[f][1,2]benzoxazol-5-yl] acetate
CID 60165529
2-(3-Methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614299
1-[[3-(4-propylphenyl)-4H-chromeno[4,3-c][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid
CID 53235405
1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid
CID 53235407
2-(2-Methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4799750

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one?
The IUPAC name of 7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one (CID 134911849) is 7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one.
What is the SMILES notation for 7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one?
The canonical SMILES for 7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one is Cc1ccc2c(c1)oc(=O)c1c(-c3ccccc3)noc12.
What is the InChIKey of 7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one?
The InChIKey is LPPDYEPZIAGQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c1-10-7-8-12-13(9-10)20-17(19)14-15(18-21-16(12)14)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one?
7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one has a molecular weight of 277.28 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenylchromeno[3,4-d][1,2]oxazol-4-one is sourced from PubChem (CID 134911849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).