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

C26H23F3N4O3 — CID 34216722

IUPACN-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)20-9-7-18(8-10-20)24-31-23(36-32-24)16-33(15-22-2-1-13-35-22)14-17-3-5-19(6-4-17)25(34)30-21-11-12-21/h1-10,13,21H,11-12,14-16H2,(H,30,34)
InChIKeyAETVFQHAIQIZAC-UHFFFAOYSA-N
MW496.49 g/mol
LogP5.44
Rot. Bonds9

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

N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide (PubChem CID 34216722) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide
PubChem CID34216722
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC NameN-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)20-9-7-18(8-10-20)24-31-23(36-32-24)16-33(15-22-2-1-13-35-22)14-17-3-5-19(6-4-17)25(34)30-21-11-12-21/h1-10,13,21H,11-12,14-16H2,(H,30,34)
InChIKeyAETVFQHAIQIZAC-UHFFFAOYSA-N
XLogP5.44
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide
CID 34944156
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 34943754
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-cyclopropyl-4-[[(1-cyclopropyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 55994501
N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide
CID 55591167
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
N-cyclopropyl-4-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 60537386
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 83279079

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide (CID 34216722) is N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide?
The InChIKey is AETVFQHAIQIZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c27-26(28,29)20-9-7-18(8-10-20)24-31-23(36-32-24)16-33(15-22-2-1-13-35-22)14-17-3-5-19(6-4-17)25(34)30-21-11-12-21/h1-10,13,21H,11-12,14-16H2,(H,30,34).
What are the key properties of N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide has a molecular weight of 496.49 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide is sourced from PubChem (CID 34216722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).