3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole

C18H13ClFN5O — CID 87527724

IUPAC3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
SMILESCc1cc(Cl)nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C18H13ClFN5O/c1-11-8-17(19)22-18(21-11)15-9-16(14-6-7-26-24-14)25(23-15)10-12-4-2-3-5-13(12)20/h2-9H,10H2,1H3
InChIKeyPUGCHRFFJOMYTI-UHFFFAOYSA-N
MW369.79 g/mol
LogP4.14
Rot. Bonds4

About 3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole

3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole (PubChem CID 87527724) has the molecular formula C18H13ClFN5O and a molecular weight of 369.79 g/mol. Its IUPAC name is 3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
PubChem CID87527724
Molecular FormulaC18H13ClFN5O
Molecular Weight369.79 g/mol
Exact Mass369.08
IUPAC Name3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
SMILESCc1cc(Cl)nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C18H13ClFN5O/c1-11-8-17(19)22-18(21-11)15-9-16(14-6-7-26-24-14)25(23-15)10-12-4-2-3-5-13(12)20/h2-9H,10H2,1H3
InChIKeyPUGCHRFFJOMYTI-UHFFFAOYSA-N
XLogP4.14
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole (CID 87527724) is 3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole is Cc1cc(Cl)nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1.
What is the InChIKey of 3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
The InChIKey is PUGCHRFFJOMYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O/c1-11-8-17(19)22-18(21-11)15-9-16(14-6-7-26-24-14)25(23-15)10-12-4-2-3-5-13(12)20/h2-9H,10H2,1H3.
What are the key properties of 3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole has a molecular weight of 369.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 87527724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).