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

C25H24FN3O — CID 44597109

IUPAC4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
SMILESCC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C25H24FN3O/c1-16(2)25-23(24(29-30-25)19-9-11-21(26)12-10-19)20-13-14-27-22(15-20)28-17(3)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,27,28)/t17-/m1/s1
InChIKeyZDGWVGGUWRXRME-QGZVFWFLSA-N
MW401.49 g/mol
LogP6.84
Rot. Bonds6

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

4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine (PubChem CID 44597109) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
PubChem CID44597109
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
SMILESCC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C25H24FN3O/c1-16(2)25-23(24(29-30-25)19-9-11-21(26)12-10-19)20-13-14-27-22(15-20)28-17(3)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,27,28)/t17-/m1/s1
InChIKeyZDGWVGGUWRXRME-QGZVFWFLSA-N
XLogP6.84
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 56.84
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]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine (CID 44597109) is 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine is CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(N[C@H](C)c2ccccc2)c1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The InChIKey is ZDGWVGGUWRXRME-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-16(2)25-23(24(29-30-25)19-9-11-21(26)12-10-19)20-13-14-27-22(15-20)28-17(3)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,27,28)/t17-/m1/s1.
What are the key properties of 4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine?
4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine has a molecular weight of 401.49 g/mol, XLogP of 6.84, 6 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]-N-[(1R)-1-phenylethyl]pyridin-2-amine is sourced from PubChem (CID 44597109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).