3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide

C16H15N3O2S — CID 42567051

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)NCc1ccsc1
InChIInChI=1S/C16H15N3O2S/c20-14(17-10-12-8-9-22-11-12)6-7-15-18-19-16(21-15)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,17,20)
InChIKeyUPZNULUUQGXKCS-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.05
Rot. Bonds6

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 42567051) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
PubChem CID42567051
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)NCc1ccsc1
InChIInChI=1S/C16H15N3O2S/c20-14(17-10-12-8-9-22-11-12)6-7-15-18-19-16(21-15)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,17,20)
InChIKeyUPZNULUUQGXKCS-UHFFFAOYSA-N
XLogP3.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide
CID 56858308
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46401361
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46494458
N-[(5-bromothiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 32822433
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 29132941
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55693142
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide (CID 42567051) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide is O=C(CCc1nnc(-c2ccccc2)o1)NCc1ccsc1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is UPZNULUUQGXKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-14(17-10-12-8-9-22-11-12)6-7-15-18-19-16(21-15)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,17,20).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 313.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 42567051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).