N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide

C25H23FN4O3 — CID 34944234

IUPACN-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C25H23FN4O3/c26-20-9-7-18(8-10-20)24-28-23(33-29-24)16-30(15-22-2-1-13-32-22)14-17-3-5-19(6-4-17)25(31)27-21-11-12-21/h1-10,13,21H,11-12,14-16H2,(H,27,31)
InChIKeyOSHLSZWZHGWARN-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.56
Rot. Bonds9

About N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide

N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide (PubChem CID 34944234) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide
PubChem CID34944234
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC NameN-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C25H23FN4O3/c26-20-9-7-18(8-10-20)24-28-23(33-29-24)16-30(15-22-2-1-13-32-22)14-17-3-5-19(6-4-17)25(31)27-21-11-12-21/h1-10,13,21H,11-12,14-16H2,(H,27,31)
InChIKeyOSHLSZWZHGWARN-UHFFFAOYSA-N
XLogP4.56
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide (CID 34944234) is N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is OSHLSZWZHGWARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c26-20-9-7-18(8-10-20)24-28-23(33-29-24)16-30(15-22-2-1-13-32-22)14-17-3-5-19(6-4-17)25(31)27-21-11-12-21/h1-10,13,21H,11-12,14-16H2,(H,27,31).
What are the key properties of N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 446.48 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 34944234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).