[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone

C25H22FN5O2 — CID 72703376

IUPAC[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CCOC2Cn2ccc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C25H22FN5O2/c1-17-3-8-20(24-27-10-2-11-28-24)21(15-17)25(32)31-13-14-33-23(31)16-30-12-9-22(29-30)18-4-6-19(26)7-5-18/h2-12,15,23H,13-14,16H2,1H3
InChIKeyWUAUFTUXRDGKPT-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.95
Rot. Bonds5

About [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone

[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone (PubChem CID 72703376) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
PubChem CID72703376
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CCOC2Cn2ccc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C25H22FN5O2/c1-17-3-8-20(24-27-10-2-11-28-24)21(15-17)25(32)31-13-14-33-23(31)16-30-12-9-22(29-30)18-4-6-19(26)7-5-18/h2-12,15,23H,13-14,16H2,1H3
InChIKeyWUAUFTUXRDGKPT-UHFFFAOYSA-N
XLogP3.95
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone (CID 72703376) is [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2CCOC2Cn2ccc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is WUAUFTUXRDGKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-17-3-8-20(24-27-10-2-11-28-24)21(15-17)25(32)31-13-14-33-23(31)16-30-12-9-22(29-30)18-4-6-19(26)7-5-18/h2-12,15,23H,13-14,16H2,1H3.
What are the key properties of [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone?
[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 443.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazolidin-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 72703376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).