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

C18H24N4O2 — CID 47088144

IUPAC4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NCc1nc(C2CC2)no1
InChIInChI=1S/C18H24N4O2/c1-11(2)9-20-18(23)14-6-7-15(12(3)8-14)19-10-16-21-17(22-24-16)13-4-5-13/h6-8,11,13,19H,4-5,9-10H2,1-3H3,(H,20,23)
InChIKeyKRNYMKOPLQUYRI-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.25
Rot. Bonds7

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

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 47088144) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide
PubChem CID47088144
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NCc1nc(C2CC2)no1
InChIInChI=1S/C18H24N4O2/c1-11(2)9-20-18(23)14-6-7-15(12(3)8-14)19-10-16-21-17(22-24-16)13-4-5-13/h6-8,11,13,19H,4-5,9-10H2,1-3H3,(H,20,23)
InChIKeyKRNYMKOPLQUYRI-UHFFFAOYSA-N
XLogP3.25
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methylpropyl)-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 49433378
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]-N-ethyl-3-methylbenzamide
CID 72885571
N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55918894
3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide
CID 132970891
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
N-cyclohexyl-3-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539086
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide
CID 118787519
1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
CID 47063647
N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-5-carboxamide
CID 121021957
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,6-dimethylphenoxy)aniline
CID 71937113
3-methyl-N-(2-methylpropyl)-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 49340061
2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylpropyl)benzamide
CID 86930943

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide (CID 47088144) is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide is Cc1cc(C(=O)NCC(C)C)ccc1NCc1nc(C2CC2)no1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is KRNYMKOPLQUYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)9-20-18(23)14-6-7-15(12(3)8-14)19-10-16-21-17(22-24-16)13-4-5-13/h6-8,11,13,19H,4-5,9-10H2,1-3H3,(H,20,23).
What are the key properties of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide?
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 47088144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).