4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide

C13H17N3O2S — CID 47209092

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide
SMILESCc1noc(CCCC(=O)NC(C)c2cccs2)n1
InChIInChI=1S/C13H17N3O2S/c1-9(11-5-4-8-19-11)14-12(17)6-3-7-13-15-10(2)16-18-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyNSWKNQYZXDGEJT-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.64
Rot. Bonds6

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide (PubChem CID 47209092) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide
PubChem CID47209092
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide
SMILESCc1noc(CCCC(=O)NC(C)c2cccs2)n1
InChIInChI=1S/C13H17N3O2S/c1-9(11-5-4-8-19-11)14-12(17)6-3-7-13-15-10(2)16-18-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyNSWKNQYZXDGEJT-UHFFFAOYSA-N
XLogP2.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 31110120
(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid
CID 119372360
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-phenylpropanoic acid
CID 119165693
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55712807
3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119169883
(2S,3S)-3-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119193842
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55862732
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55866321

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide (CID 47209092) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide is Cc1noc(CCCC(=O)NC(C)c2cccs2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide?
The InChIKey is NSWKNQYZXDGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(11-5-4-8-19-11)14-12(17)6-3-7-13-15-10(2)16-18-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,17).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide has a molecular weight of 279.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 47209092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).