1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one

C14H13FN4O2 — CID 99831501

IUPAC1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one
SMILESCc1c(-c2cc(Cn3cc(F)ccc3=O)on2)cnn1C
InChIInChI=1S/C14H13FN4O2/c1-9-12(6-16-18(9)2)13-5-11(21-17-13)8-19-7-10(15)3-4-14(19)20/h3-7H,8H2,1-2H3
InChIKeyMISSLCPOWANLHD-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.73
Rot. Bonds3

About 1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one

1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one (PubChem CID 99831501) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one
PubChem CID99831501
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one
SMILESCc1c(-c2cc(Cn3cc(F)ccc3=O)on2)cnn1C
InChIInChI=1S/C14H13FN4O2/c1-9-12(6-16-18(9)2)13-5-11(21-17-13)8-19-7-10(15)3-4-14(19)20/h3-7H,8H2,1-2H3
InChIKeyMISSLCPOWANLHD-UHFFFAOYSA-N
XLogP1.73
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one?
The IUPAC name of 1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one (CID 99831501) is 1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one.
What is the SMILES notation for 1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one?
The canonical SMILES for 1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one is Cc1c(-c2cc(Cn3cc(F)ccc3=O)on2)cnn1C.
What is the InChIKey of 1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one?
The InChIKey is MISSLCPOWANLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-9-12(6-16-18(9)2)13-5-11(21-17-13)8-19-7-10(15)3-4-14(19)20/h3-7H,8H2,1-2H3.
What are the key properties of 1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one?
1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one has a molecular weight of 288.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one is sourced from PubChem (CID 99831501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).