[5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate

C25H32FN3O6 — CID 67433501

IUPAC[5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate
SMILESNC(=O)OCCC(CC(C(=O)N1CCOCC1)C1CCCCC1)C(=O)c1nc2cccc(F)c2o1
InChIInChI=1S/C25H32FN3O6/c26-19-7-4-8-20-22(19)35-23(28-20)21(30)17(9-12-34-25(27)32)15-18(16-5-2-1-3-6-16)24(31)29-10-13-33-14-11-29/h4,7-8,16-18H,1-3,5-6,9-15H2,(H2,27,32)
InChIKeyIDLNNYCGZDIJEZ-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.70
Rot. Bonds9

About [5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate

[5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate (PubChem CID 67433501) has the molecular formula C25H32FN3O6 and a molecular weight of 489.54 g/mol. Its IUPAC name is [5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate.

Molecular Properties

Compound Name[5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate
PubChem CID67433501
Molecular FormulaC25H32FN3O6
Molecular Weight489.54 g/mol
Exact Mass489.23
IUPAC Name[5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate
SMILESNC(=O)OCCC(CC(C(=O)N1CCOCC1)C1CCCCC1)C(=O)c1nc2cccc(F)c2o1
InChIInChI=1S/C25H32FN3O6/c26-19-7-4-8-20-22(19)35-23(28-20)21(30)17(9-12-34-25(27)32)15-18(16-5-2-1-3-6-16)24(31)29-10-13-33-14-11-29/h4,7-8,16-18H,1-3,5-6,9-15H2,(H2,27,32)
InChIKeyIDLNNYCGZDIJEZ-UHFFFAOYSA-N
XLogP3.70
TPSA124.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate?
The IUPAC name of [5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate (CID 67433501) is [5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate.
What is the SMILES notation for [5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate?
The canonical SMILES for [5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate is NC(=O)OCCC(CC(C(=O)N1CCOCC1)C1CCCCC1)C(=O)c1nc2cccc(F)c2o1.
What is the InChIKey of [5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate?
The InChIKey is IDLNNYCGZDIJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O6/c26-19-7-4-8-20-22(19)35-23(28-20)21(30)17(9-12-34-25(27)32)15-18(16-5-2-1-3-6-16)24(31)29-10-13-33-14-11-29/h4,7-8,16-18H,1-3,5-6,9-15H2,(H2,27,32).
What are the key properties of [5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate?
[5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate has a molecular weight of 489.54 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclohexyl-3-(7-fluoro-1,3-benzoxazole-2-carbonyl)-6-morpholin-4-yl-6-oxohexyl] carbamate is sourced from PubChem (CID 67433501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).