N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine

C14H11N7O — CID 39840304

IUPACN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine
SMILESc1ccc(-c2nc(CNc3ncnc4nc[nH]c34)no2)cc1
InChIInChI=1S/C14H11N7O/c1-2-4-9(5-3-1)14-20-10(21-22-14)6-15-12-11-13(17-7-16-11)19-8-18-12/h1-5,7-8H,6H2,(H2,15,16,17,18,19)
InChIKeySYKDLEQIUAQYFH-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.02
Rot. Bonds4

About N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine

N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine (PubChem CID 39840304) has the molecular formula C14H11N7O and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine
PubChem CID39840304
Molecular FormulaC14H11N7O
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine
SMILESc1ccc(-c2nc(CNc3ncnc4nc[nH]c34)no2)cc1
InChIInChI=1S/C14H11N7O/c1-2-4-9(5-3-1)14-20-10(21-22-14)6-15-12-11-13(17-7-16-11)19-8-18-12/h1-5,7-8H,6H2,(H2,15,16,17,18,19)
InChIKeySYKDLEQIUAQYFH-UHFFFAOYSA-N
XLogP2.02
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine (CID 39840304) is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine is c1ccc(-c2nc(CNc3ncnc4nc[nH]c34)no2)cc1.
What is the InChIKey of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine?
The InChIKey is SYKDLEQIUAQYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O/c1-2-4-9(5-3-1)14-20-10(21-22-14)6-15-12-11-13(17-7-16-11)19-8-18-12/h1-5,7-8H,6H2,(H2,15,16,17,18,19).
What are the key properties of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine?
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine has a molecular weight of 293.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 39840304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).