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

C25H24N4O3 — CID 34944156

IUPACN-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C25H24N4O3/c30-25(26-21-12-13-21)20-10-8-18(9-11-20)15-29(16-22-7-4-14-31-22)17-23-27-24(28-32-23)19-5-2-1-3-6-19/h1-11,14,21H,12-13,15-17H2,(H,26,30)
InChIKeyBNZLLEIATATLEE-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.42
Rot. Bonds9

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

N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide (PubChem CID 34944156) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide
PubChem CID34944156
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C25H24N4O3/c30-25(26-21-12-13-21)20-10-8-18(9-11-20)15-29(16-22-7-4-14-31-22)17-23-27-24(28-32-23)19-5-2-1-3-6-19/h1-11,14,21H,12-13,15-17H2,(H,26,30)
InChIKeyBNZLLEIATATLEE-UHFFFAOYSA-N
XLogP4.42
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide
CID 34216722
N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide
CID 55591167
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
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-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 34943754
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(naphthalen-1-ylamino)-3-oxopropyl]amino]methyl]benzamide
CID 43065666
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
CID 34216561

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide (CID 34944156) is N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide?
The InChIKey is BNZLLEIATATLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-25(26-21-12-13-21)20-10-8-18(9-11-20)15-29(16-22-7-4-14-31-22)17-23-27-24(28-32-23)19-5-2-1-3-6-19/h1-11,14,21H,12-13,15-17H2,(H,26,30).
What are the key properties of N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 4.42, 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-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 34944156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).