N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C20H15N3O3 — CID 2233287

IUPACN-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H15N3O3/c24-18(21-13-17-10-5-11-25-17)15-8-4-9-16(12-15)20-23-22-19(26-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,21,24)
InChIKeyDQSQUBOSYYZLTF-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.93
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2233287) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2233287
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H15N3O3/c24-18(21-13-17-10-5-11-25-17)15-8-4-9-16(12-15)20-23-22-19(26-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,21,24)
InChIKeyDQSQUBOSYYZLTF-UHFFFAOYSA-N
XLogP3.93
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3,5-Dimethyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 652840
N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide
CID 661961
N-Furan-2-ylmethyl-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 654666
[4-[[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 22432452
3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(furan-2-ylmethyl)benzamide
CID 162722707
Furan-2-yl-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 22432373
7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24816922
N,N',N''-Tris(2-furylmethyl)-1,3,5-benzenetricarboxamide
CID 1291806
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2649562
1-(2-Furoyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine hydrochloride
CID 2980995
3-[5-(biphenyl-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16187809
1-[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-N-(furan-2-ylmethyl)methanamine
CID 38031004

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 2233287) is N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is O=C(NCc1ccco1)c1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is DQSQUBOSYYZLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-18(21-13-17-10-5-11-25-17)15-8-4-9-16(12-15)20-23-22-19(26-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 345.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2233287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).