5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

C18H14FN5O2 — CID 118971576

IUPAC5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESCc1ccc(Cn2nc(-c3ncc(F)c(=O)[nH]3)cc2-c2ccon2)cc1
InChIInChI=1S/C18H14FN5O2/c1-11-2-4-12(5-3-11)10-24-16(14-6-7-26-23-14)8-15(22-24)17-20-9-13(19)18(25)21-17/h2-9H,10H2,1H3,(H,20,21,25)
InChIKeyVNAVBBNBKXJRCF-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.78
Rot. Bonds4

About 5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 118971576) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
PubChem CID118971576
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESCc1ccc(Cn2nc(-c3ncc(F)c(=O)[nH]3)cc2-c2ccon2)cc1
InChIInChI=1S/C18H14FN5O2/c1-11-2-4-12(5-3-11)10-24-16(14-6-7-26-23-14)8-15(22-24)17-20-9-13(19)18(25)21-17/h2-9H,10H2,1H3,(H,20,21,25)
InChIKeyVNAVBBNBKXJRCF-UHFFFAOYSA-N
XLogP2.78
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (CID 118971576) is 5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is Cc1ccc(Cn2nc(-c3ncc(F)c(=O)[nH]3)cc2-c2ccon2)cc1.
What is the InChIKey of 5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The InChIKey is VNAVBBNBKXJRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-11-2-4-12(5-3-11)10-24-16(14-6-7-26-23-14)8-15(22-24)17-20-9-13(19)18(25)21-17/h2-9H,10H2,1H3,(H,20,21,25).
What are the key properties of 5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 351.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(4-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 118971576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).