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

C15H21N5O — CID 75419970

IUPAC2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCc3c(ncn3C3CC3)C2)o1
InChIInChI=1S/C15H21N5O/c1-10(2)15-18-17-14(21-15)8-19-6-5-13-12(7-19)16-9-20(13)11-3-4-11/h9-11H,3-8H2,1-2H3
InChIKeyBUBORVKGQDWHKE-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.28
Rot. Bonds4

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

2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 75419970) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID75419970
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCc3c(ncn3C3CC3)C2)o1
InChIInChI=1S/C15H21N5O/c1-10(2)15-18-17-14(21-15)8-19-6-5-13-12(7-19)16-9-20(13)11-3-4-11/h9-11H,3-8H2,1-2H3
InChIKeyBUBORVKGQDWHKE-UHFFFAOYSA-N
XLogP2.28
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-5-[1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole
CID 53578438
2-Methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
CID 115773530
2-Tert-butyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
CID 137971869
2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-ethyl-1,3,4-oxadiazole
CID 53558553
2-[1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-5-methyl-1,3,4-oxadiazole
CID 53572934
2-cyclopropyl-5-[(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
CID 53585925
2-[1-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-5-methyl-1,3,4-oxadiazole
CID 71932702
2-[(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 71932751
2-cyclopropyl-5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
CID 75419968
3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole
CID 95297965
3-cyclopropyl-5-[(1R)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole
CID 95297966
2-[(1R)-1-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-5-methyl-1,3,4-oxadiazole
CID 97009352

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 75419970) is 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(CN2CCc3c(ncn3C3CC3)C2)o1.
What is the InChIKey of 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is BUBORVKGQDWHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)15-18-17-14(21-15)8-19-6-5-13-12(7-19)16-9-20(13)11-3-4-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 287.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 75419970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).