oxane-4-carboxamide

C6H11NO2 — CID 13197203

IUPACoxane-4-carboxamide
SMILESNC(=O)C1CCOCC1
InChIInChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)
InChIKeyDGOYLVBDCVINQZ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.10
Rot. Bonds1

About oxane-4-carboxamide

oxane-4-carboxamide (PubChem CID 13197203) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is oxane-4-carboxamide.

Molecular Properties

Compound Nameoxane-4-carboxamide
PubChem CID13197203
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameoxane-4-carboxamide
SMILESNC(=O)C1CCOCC1
InChIInChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)
InChIKeyDGOYLVBDCVINQZ-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetrahydro-pyran-4-carboxylic acid hydroxyamide
CID 22646733
2-(tetrahydro-2H-pyran-4-yl)acetamide
CID 55265493
N-(trifluoromethyl)oxane-4-carboxamide
CID 152619875
4-Fluorooxane-4-carboxamide
CID 168873095
4-(Fluoromethyl)oxane-4-carboxamide
CID 122714179
(3S,4R)-3-methyl-tetrahydro-pyran-4-carboxylic acid amide
CID 55289009
2-Ethyl-4-methoxybutanamide
CID 55290162
4-methyltetrahydro-2H-pyran-4-carboxamide
CID 57911514
2-(Tetrahydro-2H-pyran-3-yl)acetamide
CID 68729540
Oxane-4-carboxamide;hydrochloride
CID 68867617
3-Methyloxane-4-carboxamide
CID 76224325
N-iodooxane-4-carboxamide
CID 89361759

Frequently Asked Questions

What is the IUPAC name of oxane-4-carboxamide?
The IUPAC name of oxane-4-carboxamide (CID 13197203) is oxane-4-carboxamide.
What is the SMILES notation for oxane-4-carboxamide?
The canonical SMILES for oxane-4-carboxamide is NC(=O)C1CCOCC1.
What is the InChIKey of oxane-4-carboxamide?
The InChIKey is DGOYLVBDCVINQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8).
What are the key properties of oxane-4-carboxamide?
oxane-4-carboxamide has a molecular weight of 129.16 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-4-carboxamide is sourced from PubChem (CID 13197203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).