N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C9H15N3O2 — CID 21315312

IUPACN-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCCCN(C(C)=O)c1nnc(C)o1
InChIInChI=1S/C9H15N3O2/c1-4-5-6-12(8(3)13)9-11-10-7(2)14-9/h4-6H2,1-3H3
InChIKeyRSPCNWLJNUGGEE-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.53
Rot. Bonds4

About N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 21315312) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID21315312
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCCCN(C(C)=O)c1nnc(C)o1
InChIInChI=1S/C9H15N3O2/c1-4-5-6-12(8(3)13)9-11-10-7(2)14-9/h4-6H2,1-3H3
InChIKeyRSPCNWLJNUGGEE-UHFFFAOYSA-N
XLogP1.53
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis[acetyl(butyl)amino]-methylsilyl]-N-butylacetamide
CID 87222114
2,5-dimethyl-1,3,4-oxadiazole;propane
CID 143140950
N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)cyclopentanecarboxamide
CID 21323599
N-hexyl-N-phenylacetamide
CID 13217997
N-butyl-N-iodoacetamide
CID 18767604
N-butyl-N-methylacetamide;ethane
CID 142088805
N-(2-bromoethyl)-N-butylacetamide
CID 80659482
N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175749
methyl 4-[acetyl(butyl)amino]-3-methylbenzoate
CID 24820704
(2S)-N-butyl-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
CID 12556890
N-butyl-N-heptylacetamide
CID 91713167
N-(3-chloro-2,6-diethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 70467827

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 21315312) is N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is CCCCN(C(C)=O)c1nnc(C)o1.
What is the InChIKey of N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is RSPCNWLJNUGGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-5-6-12(8(3)13)9-11-10-7(2)14-9/h4-6H2,1-3H3.
What are the key properties of N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 21315312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).