3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide

C12H20N2O2 — CID 17190971

IUPAC3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide
SMILESCCCC(C)NC(=O)c1c(CC)noc1C
InChIInChI=1S/C12H20N2O2/c1-5-7-8(3)13-12(15)11-9(4)16-14-10(11)6-2/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyJOGCJKVCYIFTNZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.46
Rot. Bonds5

About 3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 17190971) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID17190971
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide
SMILESCCCC(C)NC(=O)c1c(CC)noc1C
InChIInChI=1S/C12H20N2O2/c1-5-7-8(3)13-12(15)11-9(4)16-14-10(11)6-2/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyJOGCJKVCYIFTNZ-UHFFFAOYSA-N
XLogP2.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 17174146
(3-Ethyl-5-methylisoxazol-4-yl)(morpholino)methanone
CID 1245299
N-[1-(1-adamantyl)butyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 2970212
3,5-dimethyl-N-[1-(tetrahydro-2-furanyl)ethyl]-4-isoxazolecarboxamide
CID 2970406
(2,6-Dimethylmorpholin-4-yl)(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 3245328
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982741
N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71563148
N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982677
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 25163169
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide (CID 17190971) is 3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide is CCCC(C)NC(=O)c1c(CC)noc1C.
What is the InChIKey of 3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is JOGCJKVCYIFTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-7-8(3)13-12(15)11-9(4)16-14-10(11)6-2/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17190971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).