[(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate

C24H31N3O6 — CID 67300998

IUPAC[(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
SMILESCC[C@@](OC(N)=O)(C(=O)c1nc2ccccc2o1)C(C)(C(=O)N1CCOCC1)C1CCCC1
InChIInChI=1S/C24H31N3O6/c1-3-24(33-22(25)30,19(28)20-26-17-10-6-7-11-18(17)32-20)23(2,16-8-4-5-9-16)21(29)27-12-14-31-15-13-27/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3,(H2,25,30)/t23?,24-/m1/s1
InChIKeyFUHZZITYGFXBQL-XMMISQBUSA-N
MW457.53 g/mol
LogP3.31
Rot. Bonds7

About [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate

[(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate (PubChem CID 67300998) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
PubChem CID67300998
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC Name[(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
SMILESCC[C@@](OC(N)=O)(C(=O)c1nc2ccccc2o1)C(C)(C(=O)N1CCOCC1)C1CCCC1
InChIInChI=1S/C24H31N3O6/c1-3-24(33-22(25)30,19(28)20-26-17-10-6-7-11-18(17)32-20)23(2,16-8-4-5-9-16)21(29)27-12-14-31-15-13-27/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3,(H2,25,30)/t23?,24-/m1/s1
InChIKeyFUHZZITYGFXBQL-XMMISQBUSA-N
XLogP3.31
TPSA124.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate with MolForge

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Related Compounds

[3-(1,3-benzoxazole-2-carbonyl)-4-cyclohexyl-2-methyl-1-morpholin-4-yl-1-oxohexan-3-yl] carbamate
CID 67433412
[(2S)-1-(1,3-benzoxazol-2-yl)-2-(morpholine-4-carbonyl)-1-oxo-6-phenylhexan-2-yl] carbamate
CID 87346660
[(3S)-6-(1,3-benzoxazol-2-yl)-3-(morpholine-4-carbonyl)-6-oxo-1-phenylhexan-3-yl] carbamate
CID 67301294
[(3S)-3-(1,3-benzoxazole-2-carbonyl)-6-(2-cyclohexylmorpholin-4-yl)-2-methyl-6-oxohexan-3-yl] carbamate
CID 67300842
[3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate
CID 67433366
[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
(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-oxopentan-2-yl]carbamate
CID 11670285
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 24632142
2,2-dimethylpropyl 4-(1,3-benzoxazol-2-yl)piperazine-1-carboxylate
CID 11992420
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 56810173

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The IUPAC name of [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate (CID 67300998) is [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate.
What is the SMILES notation for [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The canonical SMILES for [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate is CC[C@@](OC(N)=O)(C(=O)c1nc2ccccc2o1)C(C)(C(=O)N1CCOCC1)C1CCCC1.
What is the InChIKey of [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The InChIKey is FUHZZITYGFXBQL-XMMISQBUSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-3-24(33-22(25)30,19(28)20-26-17-10-6-7-11-18(17)32-20)23(2,16-8-4-5-9-16)21(29)27-12-14-31-15-13-27/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3,(H2,25,30)/t23?,24-/m1/s1.
What are the key properties of [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
[(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate has a molecular weight of 457.53 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1,3-benzoxazole-2-carbonyl)-2-cyclopentyl-2-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate is sourced from PubChem (CID 67300998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).