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

C17H9ClF3N5O — CID 131998879

IUPAC2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
SMILESFc1cnc(-c2cc(-c3ncco3)n(Cc3cccc(F)c3F)n2)nc1Cl
InChIInChI=1S/C17H9ClF3N5O/c18-15-11(20)7-23-16(24-15)12-6-13(17-22-4-5-27-17)26(25-12)8-9-2-1-3-10(19)14(9)21/h1-7H,8H2
InChIKeyOXESNVGUMNXDNW-UHFFFAOYSA-N
MW391.74 g/mol
LogP4.11
Rot. Bonds4

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

2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole (PubChem CID 131998879) has the molecular formula C17H9ClF3N5O and a molecular weight of 391.74 g/mol. Its IUPAC name is 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
PubChem CID131998879
Molecular FormulaC17H9ClF3N5O
Molecular Weight391.74 g/mol
Exact Mass391.04
IUPAC Name2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
SMILESFc1cnc(-c2cc(-c3ncco3)n(Cc3cccc(F)c3F)n2)nc1Cl
InChIInChI=1S/C17H9ClF3N5O/c18-15-11(20)7-23-16(24-15)12-6-13(17-22-4-5-27-17)26(25-12)8-9-2-1-3-10(19)14(9)21/h1-7H,8H2
InChIKeyOXESNVGUMNXDNW-UHFFFAOYSA-N
XLogP4.11
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.74
LogP ≤ 54.11
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-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole (CID 131998879) is 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole is Fc1cnc(-c2cc(-c3ncco3)n(Cc3cccc(F)c3F)n2)nc1Cl.
What is the InChIKey of 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole?
The InChIKey is OXESNVGUMNXDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N5O/c18-15-11(20)7-23-16(24-15)12-6-13(17-22-4-5-27-17)26(25-12)8-9-2-1-3-10(19)14(9)21/h1-7H,8H2.
What are the key properties of 2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole?
2-[3-(4-chloro-5-fluoropyrimidin-2-yl)-1-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole has a molecular weight of 391.74 g/mol, XLogP of 4.11, 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-[(2,3-difluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 131998879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).