N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C12H11N3O2S — CID 84596880

IUPACN-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1coc(CNc2nnc(Cc3ccsc3)o2)c1
InChIInChI=1S/C12H11N3O2S/c1-2-10(16-4-1)7-13-12-15-14-11(17-12)6-9-3-5-18-8-9/h1-5,8H,6-7H2,(H,13,15)
InChIKeyYILWKENLBQBGKC-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.93
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine

N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 84596880) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID84596880
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1coc(CNc2nnc(Cc3ccsc3)o2)c1
InChIInChI=1S/C12H11N3O2S/c1-2-10(16-4-1)7-13-12-15-14-11(17-12)6-9-3-5-18-8-9/h1-5,8H,6-7H2,(H,13,15)
InChIKeyYILWKENLBQBGKC-UHFFFAOYSA-N
XLogP2.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-furylmethyl)-2-[5-(2-thienyl)-2H-tetrazol-2-yl]acetamide
CID 862079
N-(furan-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2093798
N-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 2104440
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
N-((5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)thiophene-2-carboxamide
CID 4151395
N-(furan-2-ylmethyl)-2-((5-(2-(thiophen-2-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide
CID 7191368
N-(5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl)furan-2-carboxamide
CID 45496906
N-(furan-2-ylmethyl)-2-(4-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 71793527
N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 7191284
1-[(5-Methylfuran-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 31225388
(E)-3-(furan-2-yl)-N-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)acrylamide
CID 49736330
N-(furan-2-ylmethyl)-3-[5-(thiophen-2-yl)-2H-1,2,3,4-tetrazol-2-yl]propanamide
CID 60160274

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 84596880) is N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine is c1coc(CNc2nnc(Cc3ccsc3)o2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is YILWKENLBQBGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-2-10(16-4-1)7-13-12-15-14-11(17-12)6-9-3-5-18-8-9/h1-5,8H,6-7H2,(H,13,15).
What are the key properties of N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 261.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 84596880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).