5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine

C20H17FN2O3 — CID 134807408

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine
SMILESCOc1cc(F)ccc1-c1nc(-c2c(C)noc2C)cc2cc(C)oc12
InChIInChI=1S/C20H17FN2O3/c1-10-7-13-8-16(18-11(2)23-26-12(18)3)22-19(20(13)25-10)15-6-5-14(21)9-17(15)24-4/h5-9H,1-4H3
InChIKeyBWANWEUZGFIJHK-UHFFFAOYSA-N
MW352.37 g/mol
LogP5.22
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine

5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine (PubChem CID 134807408) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine
PubChem CID134807408
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine
SMILESCOc1cc(F)ccc1-c1nc(-c2c(C)noc2C)cc2cc(C)oc12
InChIInChI=1S/C20H17FN2O3/c1-10-7-13-8-16(18-11(2)23-26-12(18)3)22-19(20(13)25-10)15-6-5-14(21)9-17(15)24-4/h5-9H,1-4H3
InChIKeyBWANWEUZGFIJHK-UHFFFAOYSA-N
XLogP5.22
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine (CID 134807408) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine is COc1cc(F)ccc1-c1nc(-c2c(C)noc2C)cc2cc(C)oc12.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine?
The InChIKey is BWANWEUZGFIJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-10-7-13-8-16(18-11(2)23-26-12(18)3)22-19(20(13)25-10)15-6-5-14(21)9-17(15)24-4/h5-9H,1-4H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine has a molecular weight of 352.37 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine is sourced from PubChem (CID 134807408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).