N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide

C20H22N2O5 — CID 46249208

IUPACN-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc3c(cc2C)oc(=O)n3C)cc1OCC
InChIInChI=1S/C20H22N2O5/c1-5-25-16-8-7-13(10-18(16)26-6-2)19(23)21-14-11-15-17(9-12(14)3)27-20(24)22(15)4/h7-11H,5-6H2,1-4H3,(H,21,23)
InChIKeyRVQHQGQXISHZPQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.49
Rot. Bonds6

About N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide

N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide (PubChem CID 46249208) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide
PubChem CID46249208
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc3c(cc2C)oc(=O)n3C)cc1OCC
InChIInChI=1S/C20H22N2O5/c1-5-25-16-8-7-13(10-18(16)26-6-2)19(23)21-14-11-15-17(9-12(14)3)27-20(24)22(15)4/h7-11H,5-6H2,1-4H3,(H,21,23)
InChIKeyRVQHQGQXISHZPQ-UHFFFAOYSA-N
XLogP3.49
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766573
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide
CID 49199824
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179401
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559277
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187
3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326
methyl 2-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683348

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide?
The IUPAC name of N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide (CID 46249208) is N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2cc3c(cc2C)oc(=O)n3C)cc1OCC.
What is the InChIKey of N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide?
The InChIKey is RVQHQGQXISHZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-5-25-16-8-7-13(10-18(16)26-6-2)19(23)21-14-11-15-17(9-12(14)3)27-20(24)22(15)4/h7-11H,5-6H2,1-4H3,(H,21,23).
What are the key properties of N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide?
N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide has a molecular weight of 370.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 46249208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).