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

C22H24FN3O2 — CID 44597108

IUPAC4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCOCC2)c1
InChIInChI=1S/C22H24FN3O2/c1-14(2)22-20(21(26-28-22)15-3-5-17(23)6-4-15)16-7-10-24-19(13-16)25-18-8-11-27-12-9-18/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H,24,25)
InChIKeyDBWVMDRPEVOBMO-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.26
Rot. Bonds5

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

4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 44597108) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine
PubChem CID44597108
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCOCC2)c1
InChIInChI=1S/C22H24FN3O2/c1-14(2)22-20(21(26-28-22)15-3-5-17(23)6-4-15)16-7-10-24-19(13-16)25-18-8-11-27-12-9-18/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H,24,25)
InChIKeyDBWVMDRPEVOBMO-UHFFFAOYSA-N
XLogP5.26
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine (CID 44597108) is 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine is CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCOCC2)c1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is DBWVMDRPEVOBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-14(2)22-20(21(26-28-22)15-3-5-17(23)6-4-15)16-7-10-24-19(13-16)25-18-8-11-27-12-9-18/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H,24,25).
What are the key properties of 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine?
4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 381.45 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 44597108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).