3-methyl-N-pentyl-1,2-oxazole-5-carboxamide

C10H16N2O2 — CID 137320445

IUPAC3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(C)no1
InChIInChI=1S/C10H16N2O2/c1-3-4-5-6-11-10(13)9-7-8(2)12-14-9/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyWZVJQLNOAJZVQO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.90
Rot. Bonds5

About 3-methyl-N-pentyl-1,2-oxazole-5-carboxamide

3-methyl-N-pentyl-1,2-oxazole-5-carboxamide (PubChem CID 137320445) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methyl-N-pentyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
PubChem CID137320445
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(C)no1
InChIInChI=1S/C10H16N2O2/c1-3-4-5-6-11-10(13)9-7-8(2)12-14-9/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyWZVJQLNOAJZVQO-UHFFFAOYSA-N
XLogP1.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 130266249
N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 106130200
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
CID 114618847
N-[[4-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107233243
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76952846
3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119394236
N-(3-butyl-1,2-oxazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 71980591
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536
N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911364
4-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 43665789

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-pentyl-1,2-oxazole-5-carboxamide (CID 137320445) is 3-methyl-N-pentyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-pentyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-pentyl-1,2-oxazole-5-carboxamide is CCCCCNC(=O)c1cc(C)no1.
What is the InChIKey of 3-methyl-N-pentyl-1,2-oxazole-5-carboxamide?
The InChIKey is WZVJQLNOAJZVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-5-6-11-10(13)9-7-8(2)12-14-9/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 3-methyl-N-pentyl-1,2-oxazole-5-carboxamide?
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 137320445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).