[(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate

C23H34N4O6 — CID 67300827

IUPAC[(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
SMILESCC[C@@](OC(N)=O)(C(=O)c1noc(C2CC2)n1)C(C)(C(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C23H34N4O6/c1-3-23(32-21(24)30,17(28)18-25-19(33-26-18)15-9-10-15)22(2,16-7-5-4-6-8-16)20(29)27-11-13-31-14-12-27/h15-16H,3-14H2,1-2H3,(H2,24,30)/t22?,23-/m1/s1
InChIKeyYFHCBJNPHNZCOI-OZAIVSQSSA-N
MW462.55 g/mol
LogP2.82
Rot. Bonds8

About [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate

[(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate (PubChem CID 67300827) has the molecular formula C23H34N4O6 and a molecular weight of 462.55 g/mol. Its IUPAC name is [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
PubChem CID67300827
Molecular FormulaC23H34N4O6
Molecular Weight462.55 g/mol
Exact Mass462.25
IUPAC Name[(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
SMILESCC[C@@](OC(N)=O)(C(=O)c1noc(C2CC2)n1)C(C)(C(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C23H34N4O6/c1-3-23(32-21(24)30,17(28)18-25-19(33-26-18)15-9-10-15)22(2,16-7-5-4-6-8-16)20(29)27-11-13-31-14-12-27/h15-16H,3-14H2,1-2H3,(H2,24,30)/t22?,23-/m1/s1
InChIKeyYFHCBJNPHNZCOI-OZAIVSQSSA-N
XLogP2.82
TPSA137.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate 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 [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The IUPAC name of [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate (CID 67300827) is [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate.
What is the SMILES notation for [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The canonical SMILES for [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate is CC[C@@](OC(N)=O)(C(=O)c1noc(C2CC2)n1)C(C)(C(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The InChIKey is YFHCBJNPHNZCOI-OZAIVSQSSA-N. The full InChI is InChI=1S/C23H34N4O6/c1-3-23(32-21(24)30,17(28)18-25-19(33-26-18)15-9-10-15)22(2,16-7-5-4-6-8-16)20(29)27-11-13-31-14-12-27/h15-16H,3-14H2,1-2H3,(H2,24,30)/t22?,23-/m1/s1.
What are the key properties of [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
[(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate has a molecular weight of 462.55 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-cyclohexyl-3-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate is sourced from PubChem (CID 67300827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).