2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole

C17H10ClF2N5O — CID 90425400

IUPAC2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(Cl)n2)cc1-c1ncco1
InChIInChI=1S/C17H10ClF2N5O/c18-15-12(20)8-22-16(23-15)13-7-14(17-21-5-6-26-17)25(24-13)9-10-3-1-2-4-11(10)19/h1-8H,9H2
InChIKeyGXCWDLIZHWANQI-UHFFFAOYSA-N
MW373.75 g/mol
LogP3.97
Rot. Bonds4

About 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole

2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole (PubChem CID 90425400) has the molecular formula C17H10ClF2N5O and a molecular weight of 373.75 g/mol. Its IUPAC name is 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
PubChem CID90425400
Molecular FormulaC17H10ClF2N5O
Molecular Weight373.75 g/mol
Exact Mass373.05
IUPAC Name2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(Cl)n2)cc1-c1ncco1
InChIInChI=1S/C17H10ClF2N5O/c18-15-12(20)8-22-16(23-15)13-7-14(17-21-5-6-26-17)25(24-13)9-10-3-1-2-4-11(10)19/h1-8H,9H2
InChIKeyGXCWDLIZHWANQI-UHFFFAOYSA-N
XLogP3.97
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole (CID 90425400) is 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole is Fc1ccccc1Cn1nc(-c2ncc(F)c(Cl)n2)cc1-c1ncco1.
What is the InChIKey of 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole?
The InChIKey is GXCWDLIZHWANQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2N5O/c18-15-12(20)8-22-16(23-15)13-7-14(17-21-5-6-26-17)25(24-13)9-10-3-1-2-4-11(10)19/h1-8H,9H2.
What are the key properties of 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole?
2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole has a molecular weight of 373.75 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 90425400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).