N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide

C21H17N3O3S — CID 53103325

IUPACN-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(-c3noc(Cc4cccs4)n3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14(25)22-16-6-10-18(11-7-16)26-17-8-4-15(5-9-17)21-23-20(27-24-21)13-19-3-2-12-28-19/h2-12H,13H2,1H3,(H,22,25)
InChIKeyNDJGVQHOYVLHLJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.14
Rot. Bonds6

About N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide

N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide (PubChem CID 53103325) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
PubChem CID53103325
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(-c3noc(Cc4cccs4)n3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14(25)22-16-6-10-18(11-7-16)26-17-8-4-15(5-9-17)21-23-20(27-24-21)13-19-3-2-12-28-19/h2-12H,13H2,1H3,(H,22,25)
InChIKeyNDJGVQHOYVLHLJ-UHFFFAOYSA-N
XLogP5.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103317
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-[4-[5-[(4-bromophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 2203142
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenoxyphenyl)propanamide
CID 100759603
[4-(thiophene-2-carbonylamino)phenyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 35625078
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
N-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetamide
CID 17427274
[(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea
CID 95763183

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide (CID 53103325) is N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(-c3noc(Cc4cccs4)n3)cc2)cc1.
What is the InChIKey of N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The InChIKey is NDJGVQHOYVLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-14(25)22-16-6-10-18(11-7-16)26-17-8-4-15(5-9-17)21-23-20(27-24-21)13-19-3-2-12-28-19/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 53103325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).