phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate

C16H14N2O4 — CID 110738535

IUPACphenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate
SMILESO=C1COc2cc(CNC(=O)Oc3ccccc3)ccc2N1
InChIInChI=1S/C16H14N2O4/c19-15-10-21-14-8-11(6-7-13(14)18-15)9-17-16(20)22-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,17,20)(H,18,19)
InChIKeyZNMFWLOIJNRRJU-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.31
Rot. Bonds3

About phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate

phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate (PubChem CID 110738535) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate
PubChem CID110738535
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namephenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate
SMILESO=C1COc2cc(CNC(=O)Oc3ccccc3)ccc2N1
InChIInChI=1S/C16H14N2O4/c19-15-10-21-14-8-11(6-7-13(14)18-15)9-17-16(20)22-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,17,20)(H,18,19)
InChIKeyZNMFWLOIJNRRJU-UHFFFAOYSA-N
XLogP2.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)carbamate
CID 110780538
2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide
CID 110746348
phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate
CID 110783576
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110746360
phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
CID 110787080
3-cyano-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]benzamide
CID 110738504
1-(2-methylphenyl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]methanesulfonamide
CID 110738581
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]methanesulfonamide
CID 110738564
2-(3-oxo-4H-1,4-benzoxazin-7-yl)acetaldehyde
CID 130015202
(4-benzamidophenyl) 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 26702173
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
benzyl N-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)but-3-enyl]carbamate
CID 170494801

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate?
The IUPAC name of phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate (CID 110738535) is phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate?
The canonical SMILES for phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate is O=C1COc2cc(CNC(=O)Oc3ccccc3)ccc2N1.
What is the InChIKey of phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate?
The InChIKey is ZNMFWLOIJNRRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-15-10-21-14-8-11(6-7-13(14)18-15)9-17-16(20)22-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,17,20)(H,18,19).
What are the key properties of phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate?
phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate has a molecular weight of 298.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate is sourced from PubChem (CID 110738535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).