3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole

C18H12FN7O — CID 71621579

IUPAC3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncc3[nH]cnc3n2)cc1-c1ccon1
InChIInChI=1S/C18H12FN7O/c19-12-4-2-1-3-11(12)9-26-16(13-5-6-27-25-13)7-14(24-26)17-20-8-15-18(23-17)22-10-21-15/h1-8,10H,9H2,(H,20,21,22,23)
InChIKeyDECXOWVQZVQCIH-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.06
Rot. Bonds4

About 3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole

3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole (PubChem CID 71621579) has the molecular formula C18H12FN7O and a molecular weight of 361.34 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole
PubChem CID71621579
Molecular FormulaC18H12FN7O
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncc3[nH]cnc3n2)cc1-c1ccon1
InChIInChI=1S/C18H12FN7O/c19-12-4-2-1-3-11(12)9-26-16(13-5-6-27-25-13)7-14(24-26)17-20-8-15-18(23-17)22-10-21-15/h1-8,10H,9H2,(H,20,21,22,23)
InChIKeyDECXOWVQZVQCIH-UHFFFAOYSA-N
XLogP3.06
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole (CID 71621579) is 3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole is Fc1ccccc1Cn1nc(-c2ncc3[nH]cnc3n2)cc1-c1ccon1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole?
The InChIKey is DECXOWVQZVQCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN7O/c19-12-4-2-1-3-11(12)9-26-16(13-5-6-27-25-13)7-14(24-26)17-20-8-15-18(23-17)22-10-21-15/h1-8,10H,9H2,(H,20,21,22,23).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole?
3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole has a molecular weight of 361.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 71621579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).