[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate

C25H32FN3O6 — CID 58985087

IUPAC[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
SMILESCC[C@H](NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1nc2cccc(F)c2o1
InChIInChI=1S/C25H32FN3O6/c1-2-18(21(30)23-27-19-10-6-9-17(26)22(19)35-23)28-25(32)34-20(15-16-7-4-3-5-8-16)24(31)29-11-13-33-14-12-29/h6,9-10,16,18,20H,2-5,7-8,11-15H2,1H3,(H,28,32)/t18-,20-/m0/s1
InChIKeyINHYDXSVKJSDPG-ICSRJNTNSA-N
MW489.54 g/mol
LogP3.85
Rot. Bonds8

About [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate

[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate (PubChem CID 58985087) has the molecular formula C25H32FN3O6 and a molecular weight of 489.54 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
PubChem CID58985087
Molecular FormulaC25H32FN3O6
Molecular Weight489.54 g/mol
Exact Mass489.23
IUPAC Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
SMILESCC[C@H](NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1nc2cccc(F)c2o1
InChIInChI=1S/C25H32FN3O6/c1-2-18(21(30)23-27-19-10-6-9-17(26)22(19)35-23)28-25(32)34-20(15-16-7-4-3-5-8-16)24(31)29-11-13-33-14-12-29/h6,9-10,16,18,20H,2-5,7-8,11-15H2,1H3,(H,28,32)/t18-,20-/m0/s1
InChIKeyINHYDXSVKJSDPG-ICSRJNTNSA-N
XLogP3.85
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-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 [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?
The IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate (CID 58985087) is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate is CC[C@H](NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1nc2cccc(F)c2o1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?
The InChIKey is INHYDXSVKJSDPG-ICSRJNTNSA-N. The full InChI is InChI=1S/C25H32FN3O6/c1-2-18(21(30)23-27-19-10-6-9-17(26)22(19)35-23)28-25(32)34-20(15-16-7-4-3-5-8-16)24(31)29-11-13-33-14-12-29/h6,9-10,16,18,20H,2-5,7-8,11-15H2,1H3,(H,28,32)/t18-,20-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate has a molecular weight of 489.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 58985087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).