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

C13H22N2O2 — CID 12556878

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

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

N-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide (PubChem CID 12556878) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide
PubChem CID12556878
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide
SMILESCCCCC(=O)N(CCCC)c1nc(C)co1
InChIInChI=1S/C13H22N2O2/c1-4-6-8-12(16)15(9-7-5-2)13-14-11(3)10-17-13/h10H,4-9H2,1-3H3
InChIKeyVOXDEQVFCVFBEM-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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide?
The IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide (CID 12556878) is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide.
What is the SMILES notation for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide?
The canonical SMILES for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide is CCCCC(=O)N(CCCC)c1nc(C)co1.
What is the InChIKey of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide?
The InChIKey is VOXDEQVFCVFBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-6-8-12(16)15(9-7-5-2)13-14-11(3)10-17-13/h10H,4-9H2,1-3H3.
What are the key properties of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide?
N-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide 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-butyl-N-(4-methyl-1,3-oxazol-2-yl)pentanamide is sourced from PubChem (CID 12556878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).