3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole

C19H21N5O — CID 75419971

IUPAC3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(CN3CCc4c(ncn4C4CC4)C3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-2-4-14(5-3-1)10-18-21-19(25-22-18)12-23-9-8-17-16(11-23)20-13-24(17)15-6-7-15/h1-5,13,15H,6-12H2
InChIKeyNKYTWEGXIZKBOL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.75
Rot. Bonds5

About 3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole

3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole (PubChem CID 75419971) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
PubChem CID75419971
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(CN3CCc4c(ncn4C4CC4)C3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-2-4-14(5-3-1)10-18-21-19(25-22-18)12-23-9-8-17-16(11-23)20-13-24(17)15-6-7-15/h1-5,13,15H,6-12H2
InChIKeyNKYTWEGXIZKBOL-UHFFFAOYSA-N
XLogP2.75
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole (CID 75419971) is 3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole is c1ccc(Cc2noc(CN3CCc4c(ncn4C4CC4)C3)n2)cc1.
What is the InChIKey of 3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is NKYTWEGXIZKBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)10-18-21-19(25-22-18)12-23-9-8-17-16(11-23)20-13-24(17)15-6-7-15/h1-5,13,15H,6-12H2.
What are the key properties of 3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?
3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75419971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).