5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine

C20H18FN3O2 — CID 134809816

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine
SMILESCc1cc2cc(-c3c(C)noc3C)nc(NCc3cccc(F)c3)c2o1
InChIInChI=1S/C20H18FN3O2/c1-11-7-15-9-17(18-12(2)24-26-13(18)3)23-20(19(15)25-11)22-10-14-5-4-6-16(21)8-14/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyPIJJBBOVHVRSDA-UHFFFAOYSA-N
MW351.38 g/mol
LogP5.16
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine (PubChem CID 134809816) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine
PubChem CID134809816
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine
SMILESCc1cc2cc(-c3c(C)noc3C)nc(NCc3cccc(F)c3)c2o1
InChIInChI=1S/C20H18FN3O2/c1-11-7-15-9-17(18-12(2)24-26-13(18)3)23-20(19(15)25-11)22-10-14-5-4-6-16(21)8-14/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyPIJJBBOVHVRSDA-UHFFFAOYSA-N
XLogP5.16
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
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)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine (CID 134809816) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine is Cc1cc2cc(-c3c(C)noc3C)nc(NCc3cccc(F)c3)c2o1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine?
The InChIKey is PIJJBBOVHVRSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-11-7-15-9-17(18-12(2)24-26-13(18)3)23-20(19(15)25-11)22-10-14-5-4-6-16(21)8-14/h4-9H,10H2,1-3H3,(H,22,23).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine has a molecular weight of 351.38 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 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)-N-[(3-fluorophenyl)methyl]-2-methylfuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 134809816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).