N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine

C14H8ClFN6O — CID 67383322

IUPACN-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine
SMILESFc1cccc(Cl)c1-c1nc2ncnc(Nc3ccon3)c2[nH]1
InChIInChI=1S/C14H8ClFN6O/c15-7-2-1-3-8(16)10(7)12-20-11-13(17-6-18-14(11)21-12)19-9-4-5-23-22-9/h1-6H,(H2,17,18,19,20,21,22)
InChIKeyTXTNLGTVNITHCP-UHFFFAOYSA-N
MW330.71 g/mol
LogP3.54
Rot. Bonds3

About N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine

N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine (PubChem CID 67383322) has the molecular formula C14H8ClFN6O and a molecular weight of 330.71 g/mol. Its IUPAC name is N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine
PubChem CID67383322
Molecular FormulaC14H8ClFN6O
Molecular Weight330.71 g/mol
Exact Mass330.04
IUPAC NameN-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine
SMILESFc1cccc(Cl)c1-c1nc2ncnc(Nc3ccon3)c2[nH]1
InChIInChI=1S/C14H8ClFN6O/c15-7-2-1-3-8(16)10(7)12-20-11-13(17-6-18-14(11)21-12)19-9-4-5-23-22-9/h1-6H,(H2,17,18,19,20,21,22)
InChIKeyTXTNLGTVNITHCP-UHFFFAOYSA-N
XLogP3.54
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.71
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine?
The IUPAC name of N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine (CID 67383322) is N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine is Fc1cccc(Cl)c1-c1nc2ncnc(Nc3ccon3)c2[nH]1.
What is the InChIKey of N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine?
The InChIKey is TXTNLGTVNITHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN6O/c15-7-2-1-3-8(16)10(7)12-20-11-13(17-6-18-14(11)21-12)19-9-4-5-23-22-9/h1-6H,(H2,17,18,19,20,21,22).
What are the key properties of N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine?
N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine has a molecular weight of 330.71 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 67383322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).