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

C13H22N2O2 — CID 12556890

IUPAC(2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
SMILESCCCCN(C(=O)[C@@H](C)CC)c1nc(C)co1
InChIInChI=1S/C13H22N2O2/c1-5-7-8-15(12(16)10(3)6-2)13-14-11(4)9-17-13/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyXSBXJNYUXNMUOK-JTQLQIEISA-N
MW238.33 g/mol
LogP3.16
Rot. Bonds6

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

(2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide (PubChem CID 12556890) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
PubChem CID12556890
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
SMILESCCCCN(C(=O)[C@@H](C)CC)c1nc(C)co1
InChIInChI=1S/C13H22N2O2/c1-5-7-8-15(12(16)10(3)6-2)13-14-11(4)9-17-13/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyXSBXJNYUXNMUOK-JTQLQIEISA-N
XLogP3.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

N-hexyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
CID 12556899
2-methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-[3-[(4-methyl-1,3-oxazol-2-yl)-(2-methylpropanoyl)amino]propyl]propanamide
CID 57235407
1-butyl-3-hexyl-1-(4-methyl-1,3-oxazol-2-yl)urea
CID 23468965
N-butyl-N-(4-butyl-1,3-oxazol-2-yl)-2-methylpropanamide
CID 12556915
N-butan-2-yl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
CID 70605917
N-(2-methoxyethyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide
CID 21323627
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-butan-2-yl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109321443
N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 21315312
N,2-dimethyl-N-propylbutanamide
CID 89368936
N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide
CID 177171371
2-butylsulfinyl-4-methyl-1,3-oxazole
CID 21329712

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of (2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide (CID 12556890) is (2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for (2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for (2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide is CCCCN(C(=O)[C@@H](C)CC)c1nc(C)co1.
What is the InChIKey of (2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is XSBXJNYUXNMUOK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-7-8-15(12(16)10(3)6-2)13-14-11(4)9-17-13/h9-10H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide?
(2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 238.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 12556890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).