4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine

C17H16FN3O — CID 44597112

IUPAC4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine
SMILESCC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(N)c1
InChIInChI=1S/C17H16FN3O/c1-10(2)17-15(12-7-8-20-14(19)9-12)16(21-22-17)11-3-5-13(18)6-4-11/h3-10H,1-2H3,(H2,19,20)
InChIKeyIBHVRKPGIRHQGD-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.25
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine

4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine (PubChem CID 44597112) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine
PubChem CID44597112
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine
SMILESCC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(N)c1
InChIInChI=1S/C17H16FN3O/c1-10(2)17-15(12-7-8-20-14(19)9-12)16(21-22-17)11-3-5-13(18)6-4-11/h3-10H,1-2H3,(H2,19,20)
InChIKeyIBHVRKPGIRHQGD-UHFFFAOYSA-N
XLogP4.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine (CID 44597112) is 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine is CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(N)c1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine?
The InChIKey is IBHVRKPGIRHQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-10(2)17-15(12-7-8-20-14(19)9-12)16(21-22-17)11-3-5-13(18)6-4-11/h3-10H,1-2H3,(H2,19,20).
What are the key properties of 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine?
4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine has a molecular weight of 297.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 44597112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).