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

C19H20N4O2S — CID 46430303

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCSc1ccc(CN(C)C(=O)CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C19H20N4O2S/c1-23(13-14-6-8-15(26-2)9-7-14)18(24)11-10-17-21-19(22-25-17)16-5-3-4-12-20-16/h3-9,12H,10-11,13H2,1-2H3
InChIKeyYEHORWXAIJKXER-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.44
Rot. Bonds7

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

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 46430303) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID46430303
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCSc1ccc(CN(C)C(=O)CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C19H20N4O2S/c1-23(13-14-6-8-15(26-2)9-7-14)18(24)11-10-17-21-19(22-25-17)16-5-3-4-12-20-16/h3-9,12H,10-11,13H2,1-2H3
InChIKeyYEHORWXAIJKXER-UHFFFAOYSA-N
XLogP3.44
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 87006808
3-(2,4-difluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70771980
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide
CID 70765176
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 110330721
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46431119
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198217
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 24651784
N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 33129363
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 46430303) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CSc1ccc(CN(C)C(=O)CCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is YEHORWXAIJKXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-23(13-14-6-8-15(26-2)9-7-14)18(24)11-10-17-21-19(22-25-17)16-5-3-4-12-20-16/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 368.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 46430303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).