N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide

C14H23N3O3 — CID 58124265

IUPACN-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(=O)c1nnc(CNC(=O)C(C(C)C)C(C)(C)C)o1
InChIInChI=1S/C14H23N3O3/c1-8(2)11(14(4,5)6)12(19)15-7-10-16-17-13(20-10)9(3)18/h8,11H,7H2,1-6H3,(H,15,19)
InChIKeyCJHMCBPQGRJJHX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.21
Rot. Bonds5

About N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide

N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 58124265) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID58124265
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(=O)c1nnc(CNC(=O)C(C(C)C)C(C)(C)C)o1
InChIInChI=1S/C14H23N3O3/c1-8(2)11(14(4,5)6)12(19)15-7-10-16-17-13(20-10)9(3)18/h8,11H,7H2,1-6H3,(H,15,19)
InChIKeyCJHMCBPQGRJJHX-UHFFFAOYSA-N
XLogP2.21
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide (CID 58124265) is N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide is CC(=O)c1nnc(CNC(=O)C(C(C)C)C(C)(C)C)o1.
What is the InChIKey of N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is CJHMCBPQGRJJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8(2)11(14(4,5)6)12(19)15-7-10-16-17-13(20-10)9(3)18/h8,11H,7H2,1-6H3,(H,15,19).
What are the key properties of N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 281.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 58124265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).