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

C15H24N2O2 — CID 20923848

IUPACN-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESCCCCN(CC)C(=O)c1noc2c1CCCCC2
InChIInChI=1S/C15H24N2O2/c1-3-5-11-17(4-2)15(18)14-12-9-7-6-8-10-13(12)19-16-14/h3-11H2,1-2H3
InChIKeyCWKWSLPVLWJRLK-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.21
Rot. Bonds5

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

N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (PubChem CID 20923848) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
PubChem CID20923848
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESCCCCN(CC)C(=O)c1noc2c1CCCCC2
InChIInChI=1S/C15H24N2O2/c1-3-5-11-17(4-2)15(18)14-12-9-7-6-8-10-13(12)19-16-14/h3-11H2,1-2H3
InChIKeyCWKWSLPVLWJRLK-UHFFFAOYSA-N
XLogP3.21
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (CID 20923848) is N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is CCCCN(CC)C(=O)c1noc2c1CCCCC2.
What is the InChIKey of N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The InChIKey is CWKWSLPVLWJRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-5-11-17(4-2)15(18)14-12-9-7-6-8-10-13(12)19-16-14/h3-11H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 20923848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).