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

C11H14N2O2 — CID 142761764

IUPACN-cyclopentyl-1,4-oxazepine-5-carboxamide
SMILESO=C(NC1CCCC1)C1=NC=COC=C1
InChIInChI=1S/C11H14N2O2/c14-11(13-9-3-1-2-4-9)10-5-7-15-8-6-12-10/h5-9H,1-4H2,(H,13,14)
InChIKeyJKNKTAWJVYFNIE-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.50
Rot. Bonds2

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

N-cyclopentyl-1,4-oxazepine-5-carboxamide (PubChem CID 142761764) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-cyclopentyl-1,4-oxazepine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1,4-oxazepine-5-carboxamide
PubChem CID142761764
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-cyclopentyl-1,4-oxazepine-5-carboxamide
SMILESO=C(NC1CCCC1)C1=NC=COC=C1
InChIInChI=1S/C11H14N2O2/c14-11(13-9-3-1-2-4-9)10-5-7-15-8-6-12-10/h5-9H,1-4H2,(H,13,14)
InChIKeyJKNKTAWJVYFNIE-UHFFFAOYSA-N
XLogP1.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,4-oxazepine-5-carboxamide?
The IUPAC name of N-cyclopentyl-1,4-oxazepine-5-carboxamide (CID 142761764) is N-cyclopentyl-1,4-oxazepine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1,4-oxazepine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1,4-oxazepine-5-carboxamide is O=C(NC1CCCC1)C1=NC=COC=C1.
What is the InChIKey of N-cyclopentyl-1,4-oxazepine-5-carboxamide?
The InChIKey is JKNKTAWJVYFNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(13-9-3-1-2-4-9)10-5-7-15-8-6-12-10/h5-9H,1-4H2,(H,13,14).
What are the key properties of N-cyclopentyl-1,4-oxazepine-5-carboxamide?
N-cyclopentyl-1,4-oxazepine-5-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,4-oxazepine-5-carboxamide is sourced from PubChem (CID 142761764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).