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

C19H27N5O2 — CID 72840440

IUPAC(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)no1
InChIInChI=1S/C19H27N5O2/c1-13(2)11-24-7-4-15-17(21-12-20-15)19(24)5-8-23(9-6-19)18(25)16-10-14(3)26-22-16/h10,12-13H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyWRPAJYLFCWBDHL-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.35
Rot. Bonds3

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

(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone (PubChem CID 72840440) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
PubChem CID72840440
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)no1
InChIInChI=1S/C19H27N5O2/c1-13(2)11-24-7-4-15-17(21-12-20-15)19(24)5-8-23(9-6-19)18(25)16-10-14(3)26-22-16/h10,12-13H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyWRPAJYLFCWBDHL-UHFFFAOYSA-N
XLogP2.35
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-methyl-N-[(2S)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide
CID 138545265
5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5309956
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 72135633
1'-[(3,5-Dimethylisoxazol-4-yl)carbonyl]-5-methyl-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72864939
5-Methyl-1'-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylcarbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72936585
3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 84585206
[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97467331
(5-methyl-1,2-oxazol-3-yl)-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97467411
(5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97467457
6-[(5-isopropylisoxazol-3-yl)carbonyl]-N-methyl-4-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 72890578
[4-(4-Fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 16740900
[4-(2-Fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 16740901

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone (CID 72840440) is (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone is Cc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The InChIKey is WRPAJYLFCWBDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)11-24-7-4-15-17(21-12-20-15)19(24)5-8-23(9-6-19)18(25)16-10-14(3)26-22-16/h10,12-13H,4-9,11H2,1-3H3,(H,20,21).
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 72840440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).