5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one

C18H17FN2O2 — CID 90234491

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n([C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O2/c1-11-18(13(3)23-20-11)15-6-9-17(22)21(10-15)12(2)14-4-7-16(19)8-5-14/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyMXGOVSTYIOMITC-LBPRGKRZSA-N
MW312.34 g/mol
LogP3.87
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one (PubChem CID 90234491) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
PubChem CID90234491
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n([C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O2/c1-11-18(13(3)23-20-11)15-6-9-17(22)21(10-15)12(2)14-4-7-16(19)8-5-14/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyMXGOVSTYIOMITC-LBPRGKRZSA-N
XLogP3.87
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one (CID 90234491) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one is Cc1noc(C)c1-c1ccc(=O)n([C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
The InChIKey is MXGOVSTYIOMITC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-18(13(3)23-20-11)15-6-9-17(22)21(10-15)12(2)14-4-7-16(19)8-5-14/h4-10,12H,1-3H3/t12-/m0/s1.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one has a molecular weight of 312.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 90234491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).