N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide

C13H22N2O2 — CID 12556875

IUPACN-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide
SMILESCCCCCC(=O)N(CCC)c1nc(C)co1
InChIInChI=1S/C13H22N2O2/c1-4-6-7-8-12(16)15(9-5-2)13-14-11(3)10-17-13/h10H,4-9H2,1-3H3
InChIKeyVEFUOOZJTBIWTC-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.31
Rot. Bonds7

About N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide

N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide (PubChem CID 12556875) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide
PubChem CID12556875
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide
SMILESCCCCCC(=O)N(CCC)c1nc(C)co1
InChIInChI=1S/C13H22N2O2/c1-4-6-7-8-12(16)15(9-5-2)13-14-11(3)10-17-13/h10H,4-9H2,1-3H3
InChIKeyVEFUOOZJTBIWTC-UHFFFAOYSA-N
XLogP3.31
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isamoxole
CID 42118
Acetamide, N-hexyl-N-(4-methyl-2-oxazolyl)-
CID 12295246
N-Methyl-N-(4-methyl-1,3-oxazol-2-yl)acetamide
CID 12556871
N,2-Dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
CID 12556872
N-Ethyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
CID 12556873
N-(4-Methyl-1,3-oxazol-2-yl)-N-propylpentanamide
CID 12556874
2-(N-Butylacetamido)-4-methyloxazole
CID 12556876
N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
CID 12556877
N-Butyl-N-(4-methyl-1,3-oxazol-2-YL)pentanamide
CID 12556878
N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
CID 12556879
N-Butyl-2-ethyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
CID 12556880
N-Butyl-N-(4-methyl-1,3-oxazol-2-yl)cyclopropanecarboxamide
CID 12556881

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide?
The IUPAC name of N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide (CID 12556875) is N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide.
What is the SMILES notation for N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide?
The canonical SMILES for N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide is CCCCCC(=O)N(CCC)c1nc(C)co1.
What is the InChIKey of N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide?
The InChIKey is VEFUOOZJTBIWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-6-7-8-12(16)15(9-5-2)13-14-11(3)10-17-13/h10H,4-9H2,1-3H3.
What are the key properties of N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide?
N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide has a molecular weight of 238.33 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-oxazol-2-yl)-N-propylhexanamide is sourced from PubChem (CID 12556875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).