4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol

C19H20FN3O2 — CID 134808022

IUPAC4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol
SMILESCc1noc2c(NC3CCC(O)CC3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H20FN3O2/c1-11-18-19(25-23-11)17(21-14-6-8-15(24)9-7-14)10-16(22-18)12-2-4-13(20)5-3-12/h2-5,10,14-15,24H,6-9H2,1H3,(H,21,22)
InChIKeyCWQCCZSCGCYQHM-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.05
Rot. Bonds3

About 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol

4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol (PubChem CID 134808022) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol
PubChem CID134808022
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol
SMILESCc1noc2c(NC3CCC(O)CC3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H20FN3O2/c1-11-18-19(25-23-11)17(21-14-6-8-15(24)9-7-14)10-16(22-18)12-2-4-13(20)5-3-12/h2-5,10,14-15,24H,6-9H2,1H3,(H,21,22)
InChIKeyCWQCCZSCGCYQHM-UHFFFAOYSA-N
XLogP4.05
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol (CID 134808022) is 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol is Cc1noc2c(NC3CCC(O)CC3)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol?
The InChIKey is CWQCCZSCGCYQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-11-18-19(25-23-11)17(21-14-6-8-15(24)9-7-14)10-16(22-18)12-2-4-13(20)5-3-12/h2-5,10,14-15,24H,6-9H2,1H3,(H,21,22).
What are the key properties of 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol?
4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol has a molecular weight of 341.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 134808022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).