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

C13H22N2O2 — CID 12556879

IUPACN-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
SMILESCCCCN(C(=O)C(C)(C)C)c1nc(C)co1
InChIInChI=1S/C13H22N2O2/c1-6-7-8-15(11(16)13(3,4)5)12-14-10(2)9-17-12/h9H,6-8H2,1-5H3
InChIKeyWWTAOYVJSFQMBX-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.16
Rot. Bonds4

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

N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide (PubChem CID 12556879) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
PubChem CID12556879
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
SMILESCCCCN(C(=O)C(C)(C)C)c1nc(C)co1
InChIInChI=1S/C13H22N2O2/c1-6-7-8-15(11(16)13(3,4)5)12-14-10(2)9-17-12/h9H,6-8H2,1-5H3
InChIKeyWWTAOYVJSFQMBX-UHFFFAOYSA-N
XLogP3.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide (CID 12556879) is N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide is CCCCN(C(=O)C(C)(C)C)c1nc(C)co1.
What is the InChIKey of N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is WWTAOYVJSFQMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-7-8-15(11(16)13(3,4)5)12-14-10(2)9-17-12/h9H,6-8H2,1-5H3.
What are the key properties of N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 238.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dimethyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 12556879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).