3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one

C19H15NO3 — CID 134912222

IUPAC3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one
SMILESCCc1noc2c1c(=O)oc1cc(C)c(-c3ccccc3)cc12
InChIInChI=1S/C19H15NO3/c1-3-15-17-18(23-20-15)14-10-13(12-7-5-4-6-8-12)11(2)9-16(14)22-19(17)21/h4-10H,3H2,1-2H3
InChIKeyDOCRNHWCSNAQCZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.47
Rot. Bonds2

About 3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one

3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one (PubChem CID 134912222) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one.

Molecular Properties

Compound Name3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one
PubChem CID134912222
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one
SMILESCCc1noc2c1c(=O)oc1cc(C)c(-c3ccccc3)cc12
InChIInChI=1S/C19H15NO3/c1-3-15-17-18(23-20-15)14-10-13(12-7-5-4-6-8-12)11(2)9-16(14)22-19(17)21/h4-10H,3H2,1-2H3
InChIKeyDOCRNHWCSNAQCZ-UHFFFAOYSA-N
XLogP4.47
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one?
The IUPAC name of 3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one (CID 134912222) is 3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one.
What is the SMILES notation for 3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one?
The canonical SMILES for 3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one is CCc1noc2c1c(=O)oc1cc(C)c(-c3ccccc3)cc12.
What is the InChIKey of 3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one?
The InChIKey is DOCRNHWCSNAQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-3-15-17-18(23-20-15)14-10-13(12-7-5-4-6-8-12)11(2)9-16(14)22-19(17)21/h4-10H,3H2,1-2H3.
What are the key properties of 3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one?
3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one has a molecular weight of 305.33 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-8-phenylchromeno[3,4-d][1,2]oxazol-4-one is sourced from PubChem (CID 134912222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).