1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone

C15H13NO2 — CID 146132062

IUPAC1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1Cc2ccccc2CO1
InChIInChI=1S/C15H13NO2/c17-15(12-6-2-1-3-7-12)16-10-13-8-4-5-9-14(13)11-18-16/h1-9H,10-11H2
InChIKeyNLVZQRRWAGZRLC-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.77
Rot. Bonds1

About 1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone

1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone (PubChem CID 146132062) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone.

Molecular Properties

Compound Name1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone
PubChem CID146132062
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1Cc2ccccc2CO1
InChIInChI=1S/C15H13NO2/c17-15(12-6-2-1-3-7-12)16-10-13-8-4-5-9-14(13)11-18-16/h1-9H,10-11H2
InChIKeyNLVZQRRWAGZRLC-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxamide
CID 146131108
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CID 154762402
2-benzoyl-1,3-dihydroisoquinolin-4-one
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N-(1,3-dihydroisoindol-2-yl)benzamide
CID 3118896
4-benzoylmorpholine-2,6-dione
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1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
3-benzoyl-1,3-oxazolidin-4-one
CID 70346533
3-benzoyl-1,3-oxazolidine-2,5-dione
CID 149463581
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384
(4-tert-butylphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110473575
(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone
CID 101497128

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone?
The IUPAC name of 1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone (CID 146132062) is 1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone.
What is the SMILES notation for 1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone?
The canonical SMILES for 1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone is O=C(c1ccccc1)N1Cc2ccccc2CO1.
What is the InChIKey of 1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone?
The InChIKey is NLVZQRRWAGZRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15(12-6-2-1-3-7-12)16-10-13-8-4-5-9-14(13)11-18-16/h1-9H,10-11H2.
What are the key properties of 1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone?
1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone has a molecular weight of 239.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydro-2,3-benzoxazin-3-yl(phenyl)methanone is sourced from PubChem (CID 146132062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).