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

C18H17N3O3S — CID 110354844

IUPAC5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NCc1nc(-c2cccs2)no1
InChIInChI=1S/C18H17N3O3S/c22-14(13-6-2-1-3-7-13)8-4-10-16(23)19-12-17-20-18(21-24-17)15-9-5-11-25-15/h1-3,5-7,9,11H,4,8,10,12H2,(H,19,23)
InChIKeyAUKIOLJZGLZYHM-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.47
Rot. Bonds8

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

5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide (PubChem CID 110354844) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
PubChem CID110354844
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NCc1nc(-c2cccs2)no1
InChIInChI=1S/C18H17N3O3S/c22-14(13-6-2-1-3-7-13)8-4-10-16(23)19-12-17-20-18(21-24-17)15-9-5-11-25-15/h1-3,5-7,9,11H,4,8,10,12H2,(H,19,23)
InChIKeyAUKIOLJZGLZYHM-UHFFFAOYSA-N
XLogP3.47
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-tert-butylphenyl)-4-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 110310634
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CID 110310602
4-(1,3-dioxoisoindol-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
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4-(3,4-dimethylphenyl)-4-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 110632073
4-(4-chlorophenyl)sulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 50874930
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 110310622
3-(3,5-dimethoxyphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 51127201
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
CID 55924013
2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
The IUPAC name of 5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide (CID 110354844) is 5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide.
What is the SMILES notation for 5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
The canonical SMILES for 5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide is O=C(CCCC(=O)c1ccccc1)NCc1nc(-c2cccs2)no1.
What is the InChIKey of 5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
The InChIKey is AUKIOLJZGLZYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-14(13-6-2-1-3-7-13)8-4-10-16(23)19-12-17-20-18(21-24-17)15-9-5-11-25-15/h1-3,5-7,9,11H,4,8,10,12H2,(H,19,23).
What are the key properties of 5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide?
5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide has a molecular weight of 355.42 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 110354844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).