5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one

C26H38N8O3 — CID 90325514

IUPAC5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCC1CCC(Cn2c(N3CCOC[C@H]3C)nc3nc(-c4n[nH]c(=O)o4)nc(N[C@H](C)C4CCC4)c32)CC1
InChIInChI=1S/C26H38N8O3/c1-15-7-9-18(10-8-15)13-34-20-21(27-17(3)19-5-4-6-19)28-23(24-31-32-26(35)37-24)29-22(20)30-25(34)33-11-12-36-14-16(33)2/h15-19H,4-14H2,1-3H3,(H,32,35)(H,27,28,29)/t15?,16-,17-,18?/m1/s1
InChIKeyXLTQUABIIGUOGB-QLOLRVAOSA-N
MW510.64 g/mol
LogP3.82
Rot. Bonds7

About 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one

5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 90325514) has the molecular formula C26H38N8O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID90325514
Molecular FormulaC26H38N8O3
Molecular Weight510.64 g/mol
Exact Mass510.31
IUPAC Name5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCC1CCC(Cn2c(N3CCOC[C@H]3C)nc3nc(-c4n[nH]c(=O)o4)nc(N[C@H](C)C4CCC4)c32)CC1
InChIInChI=1S/C26H38N8O3/c1-15-7-9-18(10-8-15)13-34-20-21(27-17(3)19-5-4-6-19)28-23(24-31-32-26(35)37-24)29-22(20)30-25(34)33-11-12-36-14-16(33)2/h15-19H,4-14H2,1-3H3,(H,32,35)(H,27,28,29)/t15?,16-,17-,18?/m1/s1
InChIKeyXLTQUABIIGUOGB-QLOLRVAOSA-N
XLogP3.82
TPSA126.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one (CID 90325514) is 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one is CC1CCC(Cn2c(N3CCOC[C@H]3C)nc3nc(-c4n[nH]c(=O)o4)nc(N[C@H](C)C4CCC4)c32)CC1.
What is the InChIKey of 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is XLTQUABIIGUOGB-QLOLRVAOSA-N. The full InChI is InChI=1S/C26H38N8O3/c1-15-7-9-18(10-8-15)13-34-20-21(27-17(3)19-5-4-6-19)28-23(24-31-32-26(35)37-24)29-22(20)30-25(34)33-11-12-36-14-16(33)2/h15-19H,4-14H2,1-3H3,(H,32,35)(H,27,28,29)/t15?,16-,17-,18?/m1/s1.
What are the key properties of 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one?
5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 510.64 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-methylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 90325514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).