N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H21N3O3S — CID 18115498

IUPACN-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCC(NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-15(13-6-8-14(24-2)9-7-13)20-17(23)10-11-18-21-19(22-25-18)16-5-4-12-26-16/h4-9,12,15H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyRMRWGFMHIPJBOU-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.01
Rot. Bonds8

About N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18115498) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18115498
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCC(NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-15(13-6-8-14(24-2)9-7-13)20-17(23)10-11-18-21-19(22-25-18)16-5-4-12-26-16/h4-9,12,15H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyRMRWGFMHIPJBOU-UHFFFAOYSA-N
XLogP4.01
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methylphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18090208
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31513365
N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089543
N-(1-naphthalen-2-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51231484
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 31932218
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
N-(2-butoxy-5-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35363903
N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55415410
N,4-dimethyl-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanamide
CID 55751216
(2S,3S)-3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119193820
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18269391
3-(3,5-dimethoxyphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 51127201

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18115498) is N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCC(NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is RMRWGFMHIPJBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-15(13-6-8-14(24-2)9-7-13)20-17(23)10-11-18-21-19(22-25-18)16-5-4-12-26-16/h4-9,12,15H,3,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 371.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18115498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).