6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one

C14H21N3O2 — CID 23554852

IUPAC6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(C2CCCCC2)CCc2ncoc21
InChIInChI=1S/C14H21N3O2/c1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10/h9-10,12,15H,2-8H2,1H3
InChIKeyINRXYMUDJUWKBQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.65
Rot. Bonds2

About 6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one

6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (PubChem CID 23554852) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.

Molecular Properties

Compound Name6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
PubChem CID23554852
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(C2CCCCC2)CCc2ncoc21
InChIInChI=1S/C14H21N3O2/c1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10/h9-10,12,15H,2-8H2,1H3
InChIKeyINRXYMUDJUWKBQ-UHFFFAOYSA-N
XLogP1.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The IUPAC name of 6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (CID 23554852) is 6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.
What is the SMILES notation for 6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The canonical SMILES for 6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is CNC1C(=O)N(C2CCCCC2)CCc2ncoc21.
What is the InChIKey of 6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The InChIKey is INRXYMUDJUWKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10/h9-10,12,15H,2-8H2,1H3.
What are the key properties of 6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one has a molecular weight of 263.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is sourced from PubChem (CID 23554852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).