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

C21H22N4O3 — CID 126769441

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1cc(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)ccn1
InChIInChI=1S/C21H22N4O3/c1-13(2)27-18-11-14(9-10-22-18)12-23-20(26)16-5-7-17(8-6-16)21-24-19(25-28-21)15-3-4-15/h5-11,13,15H,3-4,12H2,1-2H3,(H,23,26)
InChIKeyVBRHMESPCVJWMC-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.73
Rot. Bonds7

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

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide (PubChem CID 126769441) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide
PubChem CID126769441
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1cc(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)ccn1
InChIInChI=1S/C21H22N4O3/c1-13(2)27-18-11-14(9-10-22-18)12-23-20(26)16-5-7-17(8-6-16)21-24-19(25-28-21)15-3-4-15/h5-11,13,15H,3-4,12H2,1-2H3,(H,23,26)
InChIKeyVBRHMESPCVJWMC-UHFFFAOYSA-N
XLogP3.73
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide with MolForge

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Related Compounds

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide
CID 96569398
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120944739
3-[[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]amino]methyl]benzoic acid
CID 122032495
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 87005288
N-benzyl-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 53179198
4-(cyclopropanecarbonylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 18167280
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 53490139
N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86949292
N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide
CID 96534587
CID 171787113
CID 171787113

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide (CID 126769441) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide is CC(C)Oc1cc(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)ccn1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide?
The InChIKey is VBRHMESPCVJWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(2)27-18-11-14(9-10-22-18)12-23-20(26)16-5-7-17(8-6-16)21-24-19(25-28-21)15-3-4-15/h5-11,13,15H,3-4,12H2,1-2H3,(H,23,26).
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 126769441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).