N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

C13H20N2O2 — CID 20923858

IUPACN,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1noc2c1CCCCC2
InChIInChI=1S/C13H20N2O2/c1-3-15(4-2)13(16)12-10-8-6-5-7-9-11(10)17-14-12/h3-9H2,1-2H3
InChIKeyDLAAMXRXVCEBLG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.43
Rot. Bonds3

About N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (PubChem CID 20923858) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
PubChem CID20923858
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1noc2c1CCCCC2
InChIInChI=1S/C13H20N2O2/c1-3-15(4-2)13(16)12-10-8-6-5-7-9-11(10)17-14-12/h3-9H2,1-2H3
InChIKeyDLAAMXRXVCEBLG-UHFFFAOYSA-N
XLogP2.43
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (CID 20923858) is N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is CCN(CC)C(=O)c1noc2c1CCCCC2.
What is the InChIKey of N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The InChIKey is DLAAMXRXVCEBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(4-2)13(16)12-10-8-6-5-7-9-11(10)17-14-12/h3-9H2,1-2H3.
What are the key properties of N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 20923858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).