2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

C17H11ClFN5O2 — CID 71620947

IUPAC2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cc(-c3ccon3)n(Cc3cccc(Cl)c3F)n2)[nH]1
InChIInChI=1S/C17H11ClFN5O2/c18-11-3-1-2-10(16(11)19)9-24-14(12-5-7-26-23-12)8-13(22-24)17-20-6-4-15(25)21-17/h1-8H,9H2,(H,20,21,25)
InChIKeyOIODMFHCGFSQLP-UHFFFAOYSA-N
MW371.76 g/mol
LogP3.13
Rot. Bonds4

About 2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 71620947) has the molecular formula C17H11ClFN5O2 and a molecular weight of 371.76 g/mol. Its IUPAC name is 2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
PubChem CID71620947
Molecular FormulaC17H11ClFN5O2
Molecular Weight371.76 g/mol
Exact Mass371.06
IUPAC Name2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cc(-c3ccon3)n(Cc3cccc(Cl)c3F)n2)[nH]1
InChIInChI=1S/C17H11ClFN5O2/c18-11-3-1-2-10(16(11)19)9-24-14(12-5-7-26-23-12)8-13(22-24)17-20-6-4-15(25)21-17/h1-8H,9H2,(H,20,21,25)
InChIKeyOIODMFHCGFSQLP-UHFFFAOYSA-N
XLogP3.13
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (CID 71620947) is 2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is O=c1ccnc(-c2cc(-c3ccon3)n(Cc3cccc(Cl)c3F)n2)[nH]1.
What is the InChIKey of 2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The InChIKey is OIODMFHCGFSQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5O2/c18-11-3-1-2-10(16(11)19)9-24-14(12-5-7-26-23-12)8-13(22-24)17-20-6-4-15(25)21-17/h1-8H,9H2,(H,20,21,25).
What are the key properties of 2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 371.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 71620947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).