N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide

C20H15N3O3S — CID 6463142

IUPACN-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2noc(COc3ccccc3)n2)c1)c1cccs1
InChIInChI=1S/C20H15N3O3S/c24-20(17-10-5-11-27-17)21-15-7-4-6-14(12-15)19-22-18(26-23-19)13-25-16-8-2-1-3-9-16/h1-12H,13H2,(H,21,24)
InChIKeyCFFNZPJFJZVUJM-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.63
Rot. Bonds6

About N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide

N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide (PubChem CID 6463142) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
PubChem CID6463142
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2noc(COc3ccccc3)n2)c1)c1cccs1
InChIInChI=1S/C20H15N3O3S/c24-20(17-10-5-11-27-17)21-15-7-4-6-14(12-15)19-22-18(26-23-19)13-25-16-8-2-1-3-9-16/h1-12H,13H2,(H,21,24)
InChIKeyCFFNZPJFJZVUJM-UHFFFAOYSA-N
XLogP4.63
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-{5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625323
5-[(4-Methyl-2-nitrophenoxy)methyl]-3-thien-2-yl-1,2,4-oxadiazole
CID 4916157
N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625326
N-(4-{5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-thiophenecarboxamide
CID 2951778
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 1291767
6-Methoxy-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2-ol
CID 939022
2-((4-fluorophenyl)thio)-N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)acetamide
CID 71800589
2-(2-fluorophenoxy)-N-(2-((3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)acetamide
CID 71800626
4-Methoxy-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 75378223
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenoxy)acetamide
CID 76147148
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-fluorophenoxy)acetamide
CID 76150370
5-bromo-N-{4-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}furan-2-carboxamide
CID 1157987

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide (CID 6463142) is N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2noc(COc3ccccc3)n2)c1)c1cccs1.
What is the InChIKey of N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is CFFNZPJFJZVUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-20(17-10-5-11-27-17)21-15-7-4-6-14(12-15)19-22-18(26-23-19)13-25-16-8-2-1-3-9-16/h1-12H,13H2,(H,21,24).
What are the key properties of N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 6463142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).