2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile

C18H11FN6O2 — CID 68642181

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[nH]c1=O
InChIInChI=1S/C18H11FN6O2/c19-13-4-2-1-3-11(13)10-25-16(14-5-6-27-24-14)7-15(23-25)17-21-9-12(8-20)18(26)22-17/h1-7,9H,10H2,(H,21,22,26)
InChIKeyQGUHPHZLSAIDNN-UHFFFAOYSA-N
MW362.32 g/mol
LogP2.35
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile

2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 68642181) has the molecular formula C18H11FN6O2 and a molecular weight of 362.32 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID68642181
Molecular FormulaC18H11FN6O2
Molecular Weight362.32 g/mol
Exact Mass362.09
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[nH]c1=O
InChIInChI=1S/C18H11FN6O2/c19-13-4-2-1-3-11(13)10-25-16(14-5-6-27-24-14)7-15(23-25)17-21-9-12(8-20)18(26)22-17/h1-7,9H,10H2,(H,21,22,26)
InChIKeyQGUHPHZLSAIDNN-UHFFFAOYSA-N
XLogP2.35
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidin-4(3H)-one
CID 66633232
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-methylsulfonyl-1H-pyrimidin-6-one
CID 68111977
5-chloro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 68642285
5-(benzenesulfonyl)-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 68642353
2-(1-(2,3-difluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)-5-fluoropyrimidin-4(3H)-one
CID 71604425
2-[1-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 71620788
2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 71620794
5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 71621106
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-methyl-6-oxo-N-phenyl-1H-pyrimidine-5-sulfonamide
CID 71622159
2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 71622563
5-fluoro-2-[5-(1,2-oxazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 90445869
5-Fluoro-2-[5-(1,2-oxazol-3-yl)-1-[2-(perfluoroethyl)ethyl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 118962888

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile (CID 68642181) is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile is N#Cc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[nH]c1=O.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is QGUHPHZLSAIDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN6O2/c19-13-4-2-1-3-11(13)10-25-16(14-5-6-27-24-14)7-15(23-25)17-21-9-12(8-20)18(26)22-17/h1-7,9H,10H2,(H,21,22,26).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile?
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 362.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 68642181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).