[3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate

C26H35N3O6 — CID 67433366

IUPAC[3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate
SMILESCC(COC(N)=O)C(CC(C(=O)N1CCOCC1)C1CCCCC1)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C26H35N3O6/c1-17(16-34-26(27)32)19(23(30)24-28-21-9-5-6-10-22(21)35-24)15-20(18-7-3-2-4-8-18)25(31)29-11-13-33-14-12-29/h5-6,9-10,17-20H,2-4,7-8,11-16H2,1H3,(H2,27,32)
InChIKeyZATMBSPVLJNZFC-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.80
Rot. Bonds9

About [3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate

[3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate (PubChem CID 67433366) has the molecular formula C26H35N3O6 and a molecular weight of 485.58 g/mol. Its IUPAC name is [3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate.

Molecular Properties

Compound Name[3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate
PubChem CID67433366
Molecular FormulaC26H35N3O6
Molecular Weight485.58 g/mol
Exact Mass485.25
IUPAC Name[3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate
SMILESCC(COC(N)=O)C(CC(C(=O)N1CCOCC1)C1CCCCC1)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C26H35N3O6/c1-17(16-34-26(27)32)19(23(30)24-28-21-9-5-6-10-22(21)35-24)15-20(18-7-3-2-4-8-18)25(31)29-11-13-33-14-12-29/h5-6,9-10,17-20H,2-4,7-8,11-16H2,1H3,(H2,27,32)
InChIKeyZATMBSPVLJNZFC-UHFFFAOYSA-N
XLogP3.80
TPSA124.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate?
The IUPAC name of [3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate (CID 67433366) is [3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate.
What is the SMILES notation for [3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate?
The canonical SMILES for [3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate is CC(COC(N)=O)C(CC(C(=O)N1CCOCC1)C1CCCCC1)C(=O)c1nc2ccccc2o1.
What is the InChIKey of [3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate?
The InChIKey is ZATMBSPVLJNZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O6/c1-17(16-34-26(27)32)19(23(30)24-28-21-9-5-6-10-22(21)35-24)15-20(18-7-3-2-4-8-18)25(31)29-11-13-33-14-12-29/h5-6,9-10,17-20H,2-4,7-8,11-16H2,1H3,(H2,27,32).
What are the key properties of [3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate?
[3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate has a molecular weight of 485.58 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate is sourced from PubChem (CID 67433366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).