N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

C20H22N6O2 — CID 146092872

IUPACN-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCn1nc(C2CC2)nc1Cc1nc(CN(C(=O)c2ccccc2)C2CC2)no1
InChIInChI=1S/C20H22N6O2/c1-25-17(22-19(23-25)13-7-8-13)11-18-21-16(24-28-18)12-26(15-9-10-15)20(27)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyUAUPDIXKTIYUGB-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.47
Rot. Bonds7

About N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 146092872) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID146092872
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCn1nc(C2CC2)nc1Cc1nc(CN(C(=O)c2ccccc2)C2CC2)no1
InChIInChI=1S/C20H22N6O2/c1-25-17(22-19(23-25)13-7-8-13)11-18-21-16(24-28-18)12-26(15-9-10-15)20(27)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyUAUPDIXKTIYUGB-UHFFFAOYSA-N
XLogP2.47
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 167831282
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635
3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
CID 167792419
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 79089394
2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 126838107
4-[[cyclopropyl-(4-methylbenzoyl)amino]methyl]-3-phenyloxadiazol-3-ium-5-olate
CID 53289955
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704
4-[[[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]amino]methyl]-3-fluorobenzoic acid
CID 138032529
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-(4-aminocyclohexyl)-N-ethylbenzamide
CID 79116189
1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-3-[[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]methyl]urea
CID 166316275

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 146092872) is N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is Cn1nc(C2CC2)nc1Cc1nc(CN(C(=O)c2ccccc2)C2CC2)no1.
What is the InChIKey of N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is UAUPDIXKTIYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25-17(22-19(23-25)13-7-8-13)11-18-21-16(24-28-18)12-26(15-9-10-15)20(27)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3.
What are the key properties of N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 378.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 146092872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).