N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

C13H22N2O3 — CID 126801635

IUPACN-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(CO)on1
InChIInChI=1S/C13H22N2O3/c1-4-10(5-2)8-15(6-3)13(17)12-7-11(9-16)18-14-12/h7,10,16H,4-6,8-9H2,1-3H3
InChIKeyHEWPVGFDHHVWCB-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.07
Rot. Bonds7

About N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 126801635) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID126801635
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(CO)on1
InChIInChI=1S/C13H22N2O3/c1-4-10(5-2)8-15(6-3)13(17)12-7-11(9-16)18-14-12/h7,10,16H,4-6,8-9H2,1-3H3
InChIKeyHEWPVGFDHHVWCB-UHFFFAOYSA-N
XLogP2.07
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)isoxazole-3-carboxamide
CID 56747395
[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124049751
N,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,2-oxazole-3-carboxamide
CID 46743735
N-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 51077472
N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 94815051
N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 96109520
N-[(1S)-1-cyclopropylethyl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 137993470
[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 155550671
4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 118698692
4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 118698748
4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 118698770
4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 118698792

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (CID 126801635) is N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is CCC(CC)CN(CC)C(=O)c1cc(CO)on1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HEWPVGFDHHVWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-10(5-2)8-15(6-3)13(17)12-7-11(9-16)18-14-12/h7,10,16H,4-6,8-9H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126801635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).