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

C12H20N2O2 — CID 130266249

IUPACN-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCCC(C)(C)C)on1
InChIInChI=1S/C12H20N2O2/c1-9-8-10(16-14-9)11(15)13-7-5-6-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyHFWYCJCXTPDOPH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.54
Rot. Bonds4

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

N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 130266249) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID130266249
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCCC(C)(C)C)on1
InChIInChI=1S/C12H20N2O2/c1-9-8-10(16-14-9)11(15)13-7-5-6-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyHFWYCJCXTPDOPH-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.54
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

3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 106130200
N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 66168971
3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119394236
4-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 43665789
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
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76952846
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 130266249) is N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCCCC(C)(C)C)on1.
What is the InChIKey of N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is HFWYCJCXTPDOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-8-10(16-14-9)11(15)13-7-5-6-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 130266249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).