N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

C18H18N2O3 — CID 110683281

IUPACN-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C18H18N2O3/c1-3-20(12-13-7-5-4-6-8-13)17(21)14-9-10-16-15(11-14)19(2)18(22)23-16/h4-11H,3,12H2,1-2H3
InChIKeyDIFBYVXVZIAGTD-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.79
Rot. Bonds4

About N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 110683281) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID110683281
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C18H18N2O3/c1-3-20(12-13-7-5-4-6-8-13)17(21)14-9-10-16-15(11-14)19(2)18(22)23-16/h4-11H,3,12H2,1-2H3
InChIKeyDIFBYVXVZIAGTD-UHFFFAOYSA-N
XLogP2.79
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
CID 110692583
3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
CID 50842004
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765217
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-benzyl-N-ethyl-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682928
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067072
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (CID 110683281) is N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is DIFBYVXVZIAGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-20(12-13-7-5-4-6-8-13)17(21)14-9-10-16-15(11-14)19(2)18(22)23-16/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110683281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).