1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone

C15H16N2O4 — CID 138017087

IUPAC1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone
SMILESCc1cc(COCC(=O)N2Cc3ccccc3CO2)no1
InChIInChI=1S/C15H16N2O4/c1-11-6-14(16-21-11)9-19-10-15(18)17-7-12-4-2-3-5-13(12)8-20-17/h2-6H,7-10H2,1H3
InChIKeyULNANLYBGGCQLS-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.97
Rot. Bonds4

About 1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone

1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone (PubChem CID 138017087) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone
PubChem CID138017087
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone
SMILESCc1cc(COCC(=O)N2Cc3ccccc3CO2)no1
InChIInChI=1S/C15H16N2O4/c1-11-6-14(16-21-11)9-19-10-15(18)17-7-12-4-2-3-5-13(12)8-20-17/h2-6H,7-10H2,1H3
InChIKeyULNANLYBGGCQLS-UHFFFAOYSA-N
XLogP1.97
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone?
The IUPAC name of 1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone (CID 138017087) is 1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone.
What is the SMILES notation for 1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone?
The canonical SMILES for 1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone is Cc1cc(COCC(=O)N2Cc3ccccc3CO2)no1.
What is the InChIKey of 1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone?
The InChIKey is ULNANLYBGGCQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-11-6-14(16-21-11)9-19-10-15(18)17-7-12-4-2-3-5-13(12)8-20-17/h2-6H,7-10H2,1H3.
What are the key properties of 1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone?
1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone has a molecular weight of 288.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dihydro-2,3-benzoxazin-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone is sourced from PubChem (CID 138017087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).