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

C21H17N3O3 — CID 3237564

IUPACN-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1ccco1
InChIInChI=1S/C21H17N3O3/c25-21(18-7-4-14-26-18)22-17-11-9-16(10-12-17)20-23-19(27-24-20)13-8-15-5-2-1-3-6-15/h1-7,9-12,14H,8,13H2,(H,22,25)
InChIKeyDROVBNZYTKPDMC-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.37
Rot. Bonds6

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

N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 3237564) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID3237564
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1ccco1
InChIInChI=1S/C21H17N3O3/c25-21(18-7-4-14-26-18)22-17-11-9-16(10-12-17)20-23-19(27-24-20)13-8-15-5-2-1-3-6-15/h1-7,9-12,14H,8,13H2,(H,22,25)
InChIKeyDROVBNZYTKPDMC-UHFFFAOYSA-N
XLogP4.37
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (CID 3237564) is N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1ccco1.
What is the InChIKey of N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is DROVBNZYTKPDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-21(18-7-4-14-26-18)22-17-11-9-16(10-12-17)20-23-19(27-24-20)13-8-15-5-2-1-3-6-15/h1-7,9-12,14H,8,13H2,(H,22,25).
What are the key properties of N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 3237564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).