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

C17H17N3O2S — CID 90563659

IUPACN-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C17H17N3O2S/c1-2-6-15(21)18-13-8-4-3-7-12(13)11-16-19-17(20-22-16)14-9-5-10-23-14/h3-5,7-10H,2,6,11H2,1H3,(H,18,21)
InChIKeyTXERCLWYTUPFQC-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.13
Rot. Bonds6

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

N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide (PubChem CID 90563659) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
PubChem CID90563659
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C17H17N3O2S/c1-2-6-15(21)18-13-8-4-3-7-12(13)11-16-19-17(20-22-16)14-9-5-10-23-14/h3-5,7-10H,2,6,11H2,1H3,(H,18,21)
InChIKeyTXERCLWYTUPFQC-UHFFFAOYSA-N
XLogP4.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563665
3-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563664
1-phenyl-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563863
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800647
N-[2-(ethylaminomethyl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119440771
2-indol-1-yl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90563624
1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563880
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
CID 90563812
2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 90563722
1-(3,5-dimethoxyphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563892
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide?
The IUPAC name of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide (CID 90563659) is N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide.
What is the SMILES notation for N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide?
The canonical SMILES for N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide is CCCC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1.
What is the InChIKey of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide?
The InChIKey is TXERCLWYTUPFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-6-15(21)18-13-8-4-3-7-12(13)11-16-19-17(20-22-16)14-9-5-10-23-14/h3-5,7-10H,2,6,11H2,1H3,(H,18,21).
What are the key properties of N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide?
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide has a molecular weight of 327.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 90563659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).