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

C14H19N5O — CID 95297965

IUPAC3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCc2c(ncn2C)C1
InChIInChI=1S/C14H19N5O/c1-9(14-16-13(17-20-14)10-3-4-10)19-6-5-12-11(7-19)15-8-18(12)2/h8-10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyHWDNFUUXFUBSEK-VIFPVBQESA-N
MW273.34 g/mol
LogP1.80
Rot. Bonds3

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

3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 95297965) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole
PubChem CID95297965
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCc2c(ncn2C)C1
InChIInChI=1S/C14H19N5O/c1-9(14-16-13(17-20-14)10-3-4-10)19-6-5-12-11(7-19)15-8-18(12)2/h8-10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyHWDNFUUXFUBSEK-VIFPVBQESA-N
XLogP1.80
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 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) is 3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole is C[C@@H](c1nc(C2CC2)no1)N1CCc2c(ncn2C)C1.
What is the InChIKey of 3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is HWDNFUUXFUBSEK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(14-16-13(17-20-14)10-3-4-10)19-6-5-12-11(7-19)15-8-18(12)2/h8-10H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95297965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).