oxane-3-carboxamide

C6H11NO2 — CID 22714381

IUPACoxane-3-carboxamide
SMILESNC(=O)C1CCCOC1
InChIInChI=1S/C6H11NO2/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H2,7,8)
InChIKeyKHDGSULFSVLOPM-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.10
Rot. Bonds1

About oxane-3-carboxamide

oxane-3-carboxamide (PubChem CID 22714381) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is oxane-3-carboxamide.

Molecular Properties

Compound Nameoxane-3-carboxamide
PubChem CID22714381
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameoxane-3-carboxamide
SMILESNC(=O)C1CCCOC1
InChIInChI=1S/C6H11NO2/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H2,7,8)
InChIKeyKHDGSULFSVLOPM-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

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Related Compounds

(3S)-oxolane-3-carboxamide
CID 67048684
(3R)-oxane-3-carbothioamide
CID 96581763
(3R)-oxane-3-carboxylic acid
CID 42554318
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
oxolane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 172778209
N-(2-carbamoylcyclopentyl)oxane-3-carboxamide
CID 71989742
methyl (3R)-oxane-3-carboxylate
CID 86306897
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
2-cyclohexylidene-1-(oxan-3-yl)ethanone
CID 107136064
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
(2-aminocyclopentyl)-(oxan-3-yl)methanone
CID 107138398

Frequently Asked Questions

What is the IUPAC name of oxane-3-carboxamide?
The IUPAC name of oxane-3-carboxamide (CID 22714381) is oxane-3-carboxamide.
What is the SMILES notation for oxane-3-carboxamide?
The canonical SMILES for oxane-3-carboxamide is NC(=O)C1CCCOC1.
What is the InChIKey of oxane-3-carboxamide?
The InChIKey is KHDGSULFSVLOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H2,7,8).
What are the key properties of oxane-3-carboxamide?
oxane-3-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-3-carboxamide is sourced from PubChem (CID 22714381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).