[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol

C20H18FN3O3 — CID 134807888

IUPAC[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol
SMILESCc1noc(C)c1-c1cc2cc(CO)oc2c(NCc2cccc(F)c2)n1
InChIInChI=1S/C20H18FN3O3/c1-11-18(12(2)27-24-11)17-8-14-7-16(10-25)26-19(14)20(23-17)22-9-13-4-3-5-15(21)6-13/h3-8,25H,9-10H2,1-2H3,(H,22,23)
InChIKeyUIGZTANTOJKPPD-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.34
Rot. Bonds5

About [5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol (PubChem CID 134807888) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol
PubChem CID134807888
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol
SMILESCc1noc(C)c1-c1cc2cc(CO)oc2c(NCc2cccc(F)c2)n1
InChIInChI=1S/C20H18FN3O3/c1-11-18(12(2)27-24-11)17-8-14-7-16(10-25)26-19(14)20(23-17)22-9-13-4-3-5-15(21)6-13/h3-8,25H,9-10H2,1-2H3,(H,22,23)
InChIKeyUIGZTANTOJKPPD-UHFFFAOYSA-N
XLogP4.34
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol?
The IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol (CID 134807888) is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol.
What is the SMILES notation for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol?
The canonical SMILES for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol is Cc1noc(C)c1-c1cc2cc(CO)oc2c(NCc2cccc(F)c2)n1.
What is the InChIKey of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol?
The InChIKey is UIGZTANTOJKPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-11-18(12(2)27-24-11)17-8-14-7-16(10-25)26-19(14)20(23-17)22-9-13-4-3-5-15(21)6-13/h3-8,25H,9-10H2,1-2H3,(H,22,23).
What are the key properties of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol?
[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol has a molecular weight of 367.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(3-fluorophenyl)methylamino]furo[2,3-c]pyridin-2-yl]methanol is sourced from PubChem (CID 134807888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).