N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

C24H23N9O2 — CID 139547382

IUPACN-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc(N)c2ncn(C(C)C)c2n1
InChIInChI=1S/C24H23N9O2/c1-13(2)33-12-26-19-20(25)29-24(30-21(19)33)28-18-11-16(9-10-17(18)27-14(3)34)23-32-31-22(35-23)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,27,34)(H3,25,28,29,30)
InChIKeyKNKHDAQFBBYGLL-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.41
Rot. Bonds6

About N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 139547382) has the molecular formula C24H23N9O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID139547382
Molecular FormulaC24H23N9O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC NameN-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc(N)c2ncn(C(C)C)c2n1
InChIInChI=1S/C24H23N9O2/c1-13(2)33-12-26-19-20(25)29-24(30-21(19)33)28-18-11-16(9-10-17(18)27-14(3)34)23-32-31-22(35-23)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,27,34)(H3,25,28,29,30)
InChIKeyKNKHDAQFBBYGLL-UHFFFAOYSA-N
XLogP4.41
TPSA149.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 139547382) is N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc(N)c2ncn(C(C)C)c2n1.
What is the InChIKey of N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is KNKHDAQFBBYGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O2/c1-13(2)33-12-26-19-20(25)29-24(30-21(19)33)28-18-11-16(9-10-17(18)27-14(3)34)23-32-31-22(35-23)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,27,34)(H3,25,28,29,30).
What are the key properties of N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 469.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 139547382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).