(6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate

C17H14N2O5 — CID 69115907

IUPAC(6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate
SMILESCC(=O)c1ccc2c(c1)oc(=O)n2OC(=O)NCc1ccccc1
InChIInChI=1S/C17H14N2O5/c1-11(20)13-7-8-14-15(9-13)23-17(22)19(14)24-16(21)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyWXJAFIQNRPPVJD-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.14
Rot. Bonds4

About (6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate

(6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate (PubChem CID 69115907) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is (6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate
PubChem CID69115907
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name(6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate
SMILESCC(=O)c1ccc2c(c1)oc(=O)n2OC(=O)NCc1ccccc1
InChIInChI=1S/C17H14N2O5/c1-11(20)13-7-8-14-15(9-13)23-17(22)19(14)24-16(21)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyWXJAFIQNRPPVJD-UHFFFAOYSA-N
XLogP2.14
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274
2-[(6-acetyl-2-oxo-1,3-benzoxazol-3-yl)methyl]benzoic acid
CID 94723457
1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
CID 110776292
(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl) N-[(3,4-dimethylphenyl)methyl]carbamate
CID 68566596
N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766493
prop-2-enyl 6-acetyl-2-oxo-1,3-benzoxazole-3-carboxylate
CID 69341366
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-2-oxoacetic acid
CID 115141348
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-2-oxopropanamide
CID 115175681
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170

Frequently Asked Questions

What is the IUPAC name of (6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate?
The IUPAC name of (6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate (CID 69115907) is (6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate.
What is the SMILES notation for (6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate?
The canonical SMILES for (6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate is CC(=O)c1ccc2c(c1)oc(=O)n2OC(=O)NCc1ccccc1.
What is the InChIKey of (6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate?
The InChIKey is WXJAFIQNRPPVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-11(20)13-7-8-14-15(9-13)23-17(22)19(14)24-16(21)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of (6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate?
(6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate has a molecular weight of 326.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyl-2-oxo-1,3-benzoxazol-3-yl) N-benzylcarbamate is sourced from PubChem (CID 69115907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).