3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole

C18H14FN5O2 — CID 142622713

IUPAC3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
SMILESCOc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3)n2)ncc1F
InChIInChI=1S/C18H14FN5O2/c1-25-18-13(19)10-20-17(21-18)15-9-16(14-7-8-26-23-14)24(22-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyDZNJXWBAINLJAF-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.19
Rot. Bonds5

About 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole

3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole (PubChem CID 142622713) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
PubChem CID142622713
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
SMILESCOc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3)n2)ncc1F
InChIInChI=1S/C18H14FN5O2/c1-25-18-13(19)10-20-17(21-18)15-9-16(14-7-8-26-23-14)24(22-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyDZNJXWBAINLJAF-UHFFFAOYSA-N
XLogP3.19
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
CID 118965712
3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 118965713
3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 90446402
ethyl 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxymethyl]cyclopropane-1-carboxylate
CID 118965743
5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 118971358
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]acetic acid
CID 90446123
diethyl 2-[5-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-methylpropanedioate
CID 90425434
3-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole;1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methoxy-2H-pyrrol-5-one
CID 158849783
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]acetic acid;2-methylpropane
CID 144707756
3-[3-[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 123325967
(2S)-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanoic acid
CID 90425851
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]acetic acid;toluene
CID 144707685

Frequently Asked Questions

What is the IUPAC name of 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole (CID 142622713) is 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole is COc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3)n2)ncc1F.
What is the InChIKey of 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?
The InChIKey is DZNJXWBAINLJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-25-18-13(19)10-20-17(21-18)15-9-16(14-7-8-26-23-14)24(22-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole?
3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole has a molecular weight of 351.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 142622713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).