N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide

C17H18N4O2S — CID 70765176

IUPACN-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESCN(Cc1nc(-c2ccccn2)no1)C(=O)CCCc1cccs1
InChIInChI=1S/C17H18N4O2S/c1-21(16(22)9-4-6-13-7-5-11-24-13)12-15-19-17(20-23-15)14-8-2-3-10-18-14/h2-3,5,7-8,10-11H,4,6,9,12H2,1H3
InChIKeyUKTNMCYUTMSFLK-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.17
Rot. Bonds7

About N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide

N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide (PubChem CID 70765176) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide
PubChem CID70765176
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESCN(Cc1nc(-c2ccccn2)no1)C(=O)CCCc1cccs1
InChIInChI=1S/C17H18N4O2S/c1-21(16(22)9-4-6-13-7-5-11-24-13)12-15-19-17(20-23-15)14-8-2-3-10-18-14/h2-3,5,7-8,10-11H,4,6,9,12H2,1H3
InChIKeyUKTNMCYUTMSFLK-UHFFFAOYSA-N
XLogP3.17
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-difluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70771980
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46430303
N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 87006808
5-ethyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-oxazole-4-carboxamide
CID 70740997
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70756620
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 97197907
N-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50984748
2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide
CID 134714053
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide (CID 70765176) is N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide is CN(Cc1nc(-c2ccccn2)no1)C(=O)CCCc1cccs1.
What is the InChIKey of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is UKTNMCYUTMSFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-21(16(22)9-4-6-13-7-5-11-24-13)12-15-19-17(20-23-15)14-8-2-3-10-18-14/h2-3,5,7-8,10-11H,4,6,9,12H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide?
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 342.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 70765176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).