N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide

C19H26N2O4 — CID 51262709

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCOc1ccc(C(NC(=O)c2cc(C)no2)C(C)C)cc1OCC
InChIInChI=1S/C19H26N2O4/c1-6-23-15-9-8-14(11-16(15)24-7-2)18(12(3)4)20-19(22)17-10-13(5)21-25-17/h8-12,18H,6-7H2,1-5H3,(H,20,22)
InChIKeyZRPRBAWEXUGAJD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.91
Rot. Bonds8

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 51262709) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID51262709
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCOc1ccc(C(NC(=O)c2cc(C)no2)C(C)C)cc1OCC
InChIInChI=1S/C19H26N2O4/c1-6-23-15-9-8-14(11-16(15)24-7-2)18(12(3)4)20-19(22)17-10-13(5)21-25-17/h8-12,18H,6-7H2,1-5H3,(H,20,22)
InChIKeyZRPRBAWEXUGAJD-UHFFFAOYSA-N
XLogP3.91
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 46823792
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898
2-[2-[[1-(3,4-diethoxyphenyl)-2-methylpropyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 46649910
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46649834
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60551019
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47014241
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
CID 119274983

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 51262709) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide is CCOc1ccc(C(NC(=O)c2cc(C)no2)C(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ZRPRBAWEXUGAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-6-23-15-9-8-14(11-16(15)24-7-2)18(12(3)4)20-19(22)17-10-13(5)21-25-17/h8-12,18H,6-7H2,1-5H3,(H,20,22).
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51262709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).