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

C26H35N3O6 — CID 67433412

IUPAC[3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate
SMILESCCC(C1CCCCC1)C(OC(N)=O)(C(=O)c1nc2ccccc2o1)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C26H35N3O6/c1-3-19(18-9-5-4-6-10-18)26(35-25(27)32,17(2)24(31)29-13-15-33-16-14-29)22(30)23-28-20-11-7-8-12-21(20)34-23/h7-8,11-12,17-19H,3-6,9-10,13-16H2,1-2H3,(H2,27,32)
InChIKeyPDYWBLWXUDOKST-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.95
Rot. Bonds8

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

[3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate (PubChem CID 67433412) has the molecular formula C26H35N3O6 and a molecular weight of 485.58 g/mol. Its IUPAC name is [3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate.

Molecular Properties

Compound Name[3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate
PubChem CID67433412
Molecular FormulaC26H35N3O6
Molecular Weight485.58 g/mol
Exact Mass485.25
IUPAC Name[3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate
SMILESCCC(C1CCCCC1)C(OC(N)=O)(C(=O)c1nc2ccccc2o1)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C26H35N3O6/c1-3-19(18-9-5-4-6-10-18)26(35-25(27)32,17(2)24(31)29-13-15-33-16-14-29)22(30)23-28-20-11-7-8-12-21(20)34-23/h7-8,11-12,17-19H,3-6,9-10,13-16H2,1-2H3,(H2,27,32)
InChIKeyPDYWBLWXUDOKST-UHFFFAOYSA-N
XLogP3.95
TPSA124.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate with MolForge

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Related Compounds

[(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
CID 67300998
[3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate
CID 67433366
[(3S)-3-(1,3-benzoxazole-2-carbonyl)-6-(2-cyclohexylmorpholin-4-yl)-2-methyl-6-oxohexan-3-yl] carbamate
CID 67300842
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
CID 67301124
[(2S)-1-(1,3-benzoxazol-2-yl)-2-(morpholine-4-carbonyl)-1-oxo-6-phenylhexan-2-yl] carbamate
CID 87346660
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]carbamate
CID 11670285
[(3S)-6-(1,3-benzoxazol-2-yl)-3-(morpholine-4-carbonyl)-6-oxo-1-phenylhexan-3-yl] carbamate
CID 67301294
[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate
CID 90767888
(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 58649556
(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95592437
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
CID 11612144
[3-(1,3-benzoxazol-2-yl)-3-oxopropyl] N-(3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl)carbamate
CID 90687961

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate?
The IUPAC name of [3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate (CID 67433412) is [3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate.
What is the SMILES notation for [3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate?
The canonical SMILES for [3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate is CCC(C1CCCCC1)C(OC(N)=O)(C(=O)c1nc2ccccc2o1)C(C)C(=O)N1CCOCC1.
What is the InChIKey of [3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate?
The InChIKey is PDYWBLWXUDOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O6/c1-3-19(18-9-5-4-6-10-18)26(35-25(27)32,17(2)24(31)29-13-15-33-16-14-29)22(30)23-28-20-11-7-8-12-21(20)34-23/h7-8,11-12,17-19H,3-6,9-10,13-16H2,1-2H3,(H2,27,32).
What are the key properties of [3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate?
[3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate has a molecular weight of 485.58 g/mol, XLogP of 3.95, 8 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)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate is sourced from PubChem (CID 67433412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).