[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate

C26H35N3O6 — CID 90767888

IUPAC[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate
SMILESCCCN(C(=O)c1nc2ccccc2o1)C(=O)C(CCC1CCCCC1)OC(=O)N1CCOCC1
InChIInChI=1S/C26H35N3O6/c1-2-14-29(25(31)23-27-20-10-6-7-11-21(20)34-23)24(30)22(13-12-19-8-4-3-5-9-19)35-26(32)28-15-17-33-18-16-28/h6-7,10-11,19,22H,2-5,8-9,12-18H2,1H3
InChIKeyDIUUWNPGZXLSTC-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.40
Rot. Bonds8

About [1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate

[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate (PubChem CID 90767888) has the molecular formula C26H35N3O6 and a molecular weight of 485.58 g/mol. Its IUPAC name is [1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate
PubChem CID90767888
Molecular FormulaC26H35N3O6
Molecular Weight485.58 g/mol
Exact Mass485.25
IUPAC Name[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate
SMILESCCCN(C(=O)c1nc2ccccc2o1)C(=O)C(CCC1CCCCC1)OC(=O)N1CCOCC1
InChIInChI=1S/C26H35N3O6/c1-2-14-29(25(31)23-27-20-10-6-7-11-21(20)34-23)24(30)22(13-12-19-8-4-3-5-9-19)35-26(32)28-15-17-33-18-16-28/h6-7,10-11,19,22H,2-5,8-9,12-18H2,1H3
InChIKeyDIUUWNPGZXLSTC-UHFFFAOYSA-N
XLogP4.40
TPSA102.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-3-benzylsulfonyl-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 91004716
[(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
(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 58649556
(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)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxypentan-2-yl]carbamate
CID 71081582
[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-3-benzylsulfonyl-1-oxopropan-2-yl] N,N-dimethylcarbamate
CID 91257048
N-butyl-N-[3-[(2-methoxyphenyl)methylsulfonyl]-2-(morpholine-4-carbonylamino)propanoyl]-1,3-benzoxazole-2-carboxamide
CID 18517885
[3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate
CID 67433412
[(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
(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

Frequently Asked Questions

What is the IUPAC name of [1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate (CID 90767888) is [1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate is CCCN(C(=O)c1nc2ccccc2o1)C(=O)C(CCC1CCCCC1)OC(=O)N1CCOCC1.
What is the InChIKey of [1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate?
The InChIKey is DIUUWNPGZXLSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O6/c1-2-14-29(25(31)23-27-20-10-6-7-11-21(20)34-23)24(30)22(13-12-19-8-4-3-5-9-19)35-26(32)28-15-17-33-18-16-28/h6-7,10-11,19,22H,2-5,8-9,12-18H2,1H3.
What are the key properties of [1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate?
[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate has a molecular weight of 485.58 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 90767888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).