5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one

C16H14FN3O2 — CID 121379026

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one
SMILESCc1noc(C)c1-c1c[nH]c(=O)c(Nc2cccc(F)c2)c1
InChIInChI=1S/C16H14FN3O2/c1-9-15(10(2)22-20-9)11-6-14(16(21)18-8-11)19-13-5-3-4-12(17)7-13/h3-8,19H,1-2H3,(H,18,21)
InChIKeyMQMOWXNBHFOPNI-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.53
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one (PubChem CID 121379026) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one
PubChem CID121379026
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one
SMILESCc1noc(C)c1-c1c[nH]c(=O)c(Nc2cccc(F)c2)c1
InChIInChI=1S/C16H14FN3O2/c1-9-15(10(2)22-20-9)11-6-14(16(21)18-8-11)19-13-5-3-4-12(17)7-13/h3-8,19H,1-2H3,(H,18,21)
InChIKeyMQMOWXNBHFOPNI-UHFFFAOYSA-N
XLogP3.53
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
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)-3-(3-fluoroanilino)-1H-pyridin-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one (CID 121379026) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one is Cc1noc(C)c1-c1c[nH]c(=O)c(Nc2cccc(F)c2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one?
The InChIKey is MQMOWXNBHFOPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-9-15(10(2)22-20-9)11-6-14(16(21)18-8-11)19-13-5-3-4-12(17)7-13/h3-8,19H,1-2H3,(H,18,21).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoroanilino)-1H-pyridin-2-one has a molecular weight of 299.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 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)-3-(3-fluoroanilino)-1H-pyridin-2-one is sourced from PubChem (CID 121379026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).