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

C12H20N2O3 — CID 113248507

IUPACN-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1oncc1C
InChIInChI=1S/C12H20N2O3/c1-4-9(5-2)10(15)7-13-12(16)11-8(3)6-14-17-11/h6,9-10,15H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyPMLFRUCNYIWCSD-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.51
Rot. Bonds6

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

N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 113248507) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID113248507
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1oncc1C
InChIInChI=1S/C12H20N2O3/c1-4-9(5-2)10(15)7-13-12(16)11-8(3)6-14-17-11/h6,9-10,15H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyPMLFRUCNYIWCSD-UHFFFAOYSA-N
XLogP1.51
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 115668320
N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 83029629
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide
CID 111789808
(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 107834816
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-ethyl-2-hydroxypentyl)-2,6-dimethylbenzamide
CID 103770620
N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
CID 103658212
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-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 66334475

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 113248507) is N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide is CCC(CC)C(O)CNC(=O)c1oncc1C.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is PMLFRUCNYIWCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-9(5-2)10(15)7-13-12(16)11-8(3)6-14-17-11/h6,9-10,15H,4-5,7H2,1-3H3,(H,13,16).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 113248507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).