N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C17H22N2O2 — CID 17173863

IUPACN-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(CC)noc1C
InChIInChI=1S/C17H22N2O2/c1-5-12-9-8-10-13(6-2)16(12)18-17(20)15-11(4)21-19-14(15)7-3/h8-10H,5-7H2,1-4H3,(H,18,20)
InChIKeyWUPJPHROMGYMDJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.92
Rot. Bonds5

About N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17173863) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17173863
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(CC)noc1C
InChIInChI=1S/C17H22N2O2/c1-5-12-9-8-10-13(6-2)16(12)18-17(20)15-11(4)21-19-14(15)7-3/h8-10H,5-7H2,1-4H3,(H,18,20)
InChIKeyWUPJPHROMGYMDJ-UHFFFAOYSA-N
XLogP3.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107046625
N-(2-benzylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8023443
N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173585
N-(2,3-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47450846
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833014
N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299
3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9158633
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 131932761
3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 51088312
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
3-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-1,2-oxazole-4-carboxamide
CID 112691333

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17173863) is N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1cccc(CC)c1NC(=O)c1c(CC)noc1C.
What is the InChIKey of N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WUPJPHROMGYMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-12-9-8-10-13(6-2)16(12)18-17(20)15-11(4)21-19-14(15)7-3/h8-10H,5-7H2,1-4H3,(H,18,20).
What are the key properties of N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17173863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).