5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine

C19H20FN3O2 — CID 134805660

IUPAC5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCC3CCOCC3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H20FN3O2/c1-12-18-19(25-23-12)17(21-11-13-6-8-24-9-7-13)10-16(22-18)14-2-4-15(20)5-3-14/h2-5,10,13H,6-9,11H2,1H3,(H,21,22)
InChIKeyFHCMYTRBYSXQQI-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.18
Rot. Bonds4

About 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine

5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134805660) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134805660
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCC3CCOCC3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H20FN3O2/c1-12-18-19(25-23-12)17(21-11-13-6-8-24-9-7-13)10-16(22-18)14-2-4-15(20)5-3-14/h2-5,10,13H,6-9,11H2,1H3,(H,21,22)
InChIKeyFHCMYTRBYSXQQI-UHFFFAOYSA-N
XLogP4.18
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine with MolForge

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Related Compounds

[3-[5-(4-Fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
CID 134809613
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 71544372
N-(2-methoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804920
3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804957
5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805649
5-(4-fluorophenyl)-3-methyl-N-(1-methylpiperidin-4-yl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805967
3-methyl-N-(pyridin-3-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134806292
N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 134806935
[3-[3-Methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
CID 134806963
4-[[5-(4-Fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol
CID 134808022
3-methyl-N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809024
N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine
CID 134809303

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134805660) is 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(NCC3CCOCC3)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is FHCMYTRBYSXQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-18-19(25-23-12)17(21-11-13-6-8-24-9-7-13)10-16(22-18)14-2-4-15(20)5-3-14/h2-5,10,13H,6-9,11H2,1H3,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine?
5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 341.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134805660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).