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

C17H17N3O2S — CID 50754812

IUPACN-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1noc(CCc2ccccc2)n1
InChIInChI=1S/C17H17N3O2S/c21-16(11-14-7-4-10-23-14)18-12-15-19-17(22-20-15)9-8-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,18,21)
InChIKeyJDPQPMBHFYMPSL-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.78
Rot. Bonds7

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

N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 50754812) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID50754812
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1noc(CCc2ccccc2)n1
InChIInChI=1S/C17H17N3O2S/c21-16(11-14-7-4-10-23-14)18-12-15-19-17(22-20-15)9-8-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,18,21)
InChIKeyJDPQPMBHFYMPSL-UHFFFAOYSA-N
XLogP2.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
CID 110293651
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 50755093
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120834184
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 50755689
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404
N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 119104794
5-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 62502007
3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115079627

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide (CID 50754812) is N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1noc(CCc2ccccc2)n1.
What is the InChIKey of N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is JDPQPMBHFYMPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-16(11-14-7-4-10-23-14)18-12-15-19-17(22-20-15)9-8-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,18,21).
What are the key properties of N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 327.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 50754812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).