N-cyclohexyl-1,4-oxazepine-5-carboxamide

C12H16N2O2 — CID 69435909

IUPACN-cyclohexyl-1,4-oxazepine-5-carboxamide
SMILESO=C(NC1CCCCC1)C1=NC=COC=C1
InChIInChI=1S/C12H16N2O2/c15-12(11-6-8-16-9-7-13-11)14-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
InChIKeyYUOPBDSYWWRZPU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.89
Rot. Bonds2

About N-cyclohexyl-1,4-oxazepine-5-carboxamide

N-cyclohexyl-1,4-oxazepine-5-carboxamide (PubChem CID 69435909) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-cyclohexyl-1,4-oxazepine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,4-oxazepine-5-carboxamide
PubChem CID69435909
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-cyclohexyl-1,4-oxazepine-5-carboxamide
SMILESO=C(NC1CCCCC1)C1=NC=COC=C1
InChIInChI=1S/C12H16N2O2/c15-12(11-6-8-16-9-7-13-11)14-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
InChIKeyYUOPBDSYWWRZPU-UHFFFAOYSA-N
XLogP1.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,4-oxazepine-5-carboxamide?
The IUPAC name of N-cyclohexyl-1,4-oxazepine-5-carboxamide (CID 69435909) is N-cyclohexyl-1,4-oxazepine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,4-oxazepine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1,4-oxazepine-5-carboxamide is O=C(NC1CCCCC1)C1=NC=COC=C1.
What is the InChIKey of N-cyclohexyl-1,4-oxazepine-5-carboxamide?
The InChIKey is YUOPBDSYWWRZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(11-6-8-16-9-7-13-11)14-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15).
What are the key properties of N-cyclohexyl-1,4-oxazepine-5-carboxamide?
N-cyclohexyl-1,4-oxazepine-5-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,4-oxazepine-5-carboxamide is sourced from PubChem (CID 69435909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).