5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

C14H11N7O — CID 123533604

IUPAC5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1
InChIInChI=1S/C14H11N7O/c15-11-3-4-17-12(19-11)9-6-18-10-2-1-7(5-8(9)10)13-20-21-14(16)22-13/h1-6,18H,(H2,16,21)(H2,15,17,19)
InChIKeyAIICSQSXQDBUAW-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.84
Rot. Bonds2

About 5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 123533604) has the molecular formula C14H11N7O and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID123533604
Molecular FormulaC14H11N7O
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1
InChIInChI=1S/C14H11N7O/c15-11-3-4-17-12(19-11)9-6-18-10-2-1-7(5-8(9)10)13-20-21-14(16)22-13/h1-6,18H,(H2,16,21)(H2,15,17,19)
InChIKeyAIICSQSXQDBUAW-UHFFFAOYSA-N
XLogP1.84
TPSA132.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 123533604) is 5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is Nc1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1.
What is the InChIKey of 5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is AIICSQSXQDBUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O/c15-11-3-4-17-12(19-11)9-6-18-10-2-1-7(5-8(9)10)13-20-21-14(16)22-13/h1-6,18H,(H2,16,21)(H2,15,17,19).
What are the key properties of 5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 293.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 123533604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).