N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide

C18H18N2O2 — CID 110765217

IUPACN-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc2nc(C)oc2c1
InChIInChI=1S/C18H18N2O2/c1-3-20(12-14-7-5-4-6-8-14)18(21)15-9-10-16-17(11-15)22-13(2)19-16/h4-11H,3,12H2,1-2H3
InChIKeyGVKJKYJDTNUGHH-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.80
Rot. Bonds4

About N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide

N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 110765217) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID110765217
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc2nc(C)oc2c1
InChIInChI=1S/C18H18N2O2/c1-3-20(12-14-7-5-4-6-8-14)18(21)15-9-10-16-17(11-15)22-13(2)19-16/h4-11H,3,12H2,1-2H3
InChIKeyGVKJKYJDTNUGHH-UHFFFAOYSA-N
XLogP3.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 175868815
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683281
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
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-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
CID 110692583
(4-benzylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110765233
N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide
CID 110771979
N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide
CID 171115267
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide (CID 110765217) is N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc2nc(C)oc2c1.
What is the InChIKey of N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is GVKJKYJDTNUGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-20(12-14-7-5-4-6-8-14)18(21)15-9-10-16-17(11-15)22-13(2)19-16/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide?
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).