3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole

C19H29N5O — CID 72854623

IUPAC3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)on1
InChIInChI=1S/C19H29N5O/c1-14(2)11-24-7-4-17-18(21-13-20-17)19(24)5-8-23(9-6-19)12-16-10-15(3)22-25-16/h10,13-14H,4-9,11-12H2,1-3H3,(H,20,21)
InChIKeyKHFWNSCFQKQTBB-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.71
Rot. Bonds4

About 3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole

3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole (PubChem CID 72854623) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole
PubChem CID72854623
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)on1
InChIInChI=1S/C19H29N5O/c1-14(2)11-24-7-4-17-18(21-13-20-17)19(24)5-8-23(9-6-19)12-16-10-15(3)22-25-16/h10,13-14H,4-9,11-12H2,1-3H3,(H,20,21)
InChIKeyKHFWNSCFQKQTBB-UHFFFAOYSA-N
XLogP2.71
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole (CID 72854623) is 3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)on1.
What is the InChIKey of 3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole?
The InChIKey is KHFWNSCFQKQTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14(2)11-24-7-4-17-18(21-13-20-17)19(24)5-8-23(9-6-19)12-16-10-15(3)22-25-16/h10,13-14H,4-9,11-12H2,1-3H3,(H,20,21).
What are the key properties of 3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole?
3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole has a molecular weight of 343.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 72854623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).