3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine

C20H19ClN6O — CID 11965638

IUPAC3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1nnc(C2CCN(c3noc4cccnc34)CC2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN6O/c1-13-23-24-19(27(13)16-6-4-15(21)5-7-16)14-8-11-26(12-9-14)20-18-17(28-25-20)3-2-10-22-18/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyMSTXVAZBFLWMPK-UHFFFAOYSA-N
MW394.87 g/mol
LogP4.15
Rot. Bonds3

About 3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine

3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 11965638) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine
PubChem CID11965638
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1nnc(C2CCN(c3noc4cccnc34)CC2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN6O/c1-13-23-24-19(27(13)16-6-4-15(21)5-7-16)14-8-11-26(12-9-14)20-18-17(28-25-20)3-2-10-22-18/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyMSTXVAZBFLWMPK-UHFFFAOYSA-N
XLogP4.15
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 11965397
1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-4-methylpiperidine
CID 141117275
N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine
CID 91135311
3-[4-(8-chloro-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)cyclohexyl]-[1,2]oxazolo[4,5-b]pyridine
CID 54577505
3-[4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-1,2-benzothiazole
CID 11965635
2-[4-[4-(4-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-yl]cyclohexyl]oxypyridine
CID 162681091
3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine
CID 118961547
2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-3-(4-chlorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 70962726
2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 43318153
8-chloro-5-methyl-1-[1-(1-methylpyrazolo[5,4-b]pyridin-3-yl)piperidin-4-yl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 137485248
4-[4-(4-chlorophenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]piperidine
CID 59347473
3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrido[3,2-d]pyrimidin-4-one
CID 25069191

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine (CID 11965638) is 3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine is Cc1nnc(C2CCN(c3noc4cccnc34)CC2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is MSTXVAZBFLWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-13-23-24-19(27(13)16-6-4-15(21)5-7-16)14-8-11-26(12-9-14)20-18-17(28-25-20)3-2-10-22-18/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine?
3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 394.87 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 11965638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).