6-hydroxy-1,4-oxazepane-4-carboxamide

C6H12N2O3 — CID 130942569

IUPAC6-hydroxy-1,4-oxazepane-4-carboxamide
SMILESNC(=O)N1CCOCC(O)C1
InChIInChI=1S/C6H12N2O3/c7-6(10)8-1-2-11-4-5(9)3-8/h5,9H,1-4H2,(H2,7,10)
InChIKeyWQOVPXUPGIGKNS-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.24
Rot. Bonds

About 6-hydroxy-1,4-oxazepane-4-carboxamide

6-hydroxy-1,4-oxazepane-4-carboxamide (PubChem CID 130942569) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 6-hydroxy-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name6-hydroxy-1,4-oxazepane-4-carboxamide
PubChem CID130942569
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name6-hydroxy-1,4-oxazepane-4-carboxamide
SMILESNC(=O)N1CCOCC(O)C1
InChIInChI=1S/C6H12N2O3/c7-6(10)8-1-2-11-4-5(9)3-8/h5,9H,1-4H2,(H2,7,10)
InChIKeyWQOVPXUPGIGKNS-UHFFFAOYSA-N
XLogP-1.24
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
CID 131062493
(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 173100339
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(6-hydroxy-1,4-oxazepan-4-yl)ethanone
CID 70788494
ethane;4-methyl-1,4-oxazepan-6-ol
CID 169236342
morpholine-4-carbonyl chloride;morpholine-4-carboxamide
CID 160802379
6-methyl-1,4-oxazepane-4-carbonyl chloride
CID 131001720
tert-butyl 6-acetyloxy-1,4-oxazepane-4-carboxylate;tert-butyl 6-hydroxy-1,4-oxazepane-4-carboxylate
CID 159511906
2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide
CID 131000958
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 70766985
tert-butyl 6-hydroxy-1,4-oxazepane-4-carboxylate;methane;1,4-oxazepan-6-ol
CID 158513167
(6-hydroxy-1,4-oxazepan-4-yl)-(5-propylthiophen-3-yl)methanone
CID 70730804
2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide
CID 131223612

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4-oxazepane-4-carboxamide?
The IUPAC name of 6-hydroxy-1,4-oxazepane-4-carboxamide (CID 130942569) is 6-hydroxy-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for 6-hydroxy-1,4-oxazepane-4-carboxamide?
The canonical SMILES for 6-hydroxy-1,4-oxazepane-4-carboxamide is NC(=O)N1CCOCC(O)C1.
What is the InChIKey of 6-hydroxy-1,4-oxazepane-4-carboxamide?
The InChIKey is WQOVPXUPGIGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-6(10)8-1-2-11-4-5(9)3-8/h5,9H,1-4H2,(H2,7,10).
What are the key properties of 6-hydroxy-1,4-oxazepane-4-carboxamide?
6-hydroxy-1,4-oxazepane-4-carboxamide has a molecular weight of 160.17 g/mol, XLogP of -1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 130942569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).