N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide

C11H18N2O2 — CID 115668320

IUPACN-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)CNC(=O)c1oncc1C
InChIInChI=1S/C11H18N2O2/c1-4-9(5-2)7-12-11(14)10-8(3)6-13-15-10/h6,9H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyYVIZFFNXPRZBSR-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.15
Rot. Bonds5

About N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide

N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 115668320) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID115668320
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)CNC(=O)c1oncc1C
InChIInChI=1S/C11H18N2O2/c1-4-9(5-2)7-12-11(14)10-8(3)6-13-15-10/h6,9H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyYVIZFFNXPRZBSR-UHFFFAOYSA-N
XLogP2.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 113248507
N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 83029629
N-[(2S)-1-hydroxybutan-2-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 104981094
methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
CID 66336334
3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335116
(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 107834816
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
N-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335559
4-methyl-N-(2-piperazin-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 66336168
N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334349
N-(2-ethylbutyl)-2,6-dimethylbenzamide
CID 103714285

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 115668320) is N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide is CCC(CC)CNC(=O)c1oncc1C.
What is the InChIKey of N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is YVIZFFNXPRZBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-9(5-2)7-12-11(14)10-8(3)6-13-15-10/h6,9H,4-5,7H2,1-3H3,(H,12,14).
What are the key properties of N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 115668320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).