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

C7H14N2O3 — CID 131062493

IUPAC6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
SMILESCNC(=O)N1CCOCC(O)C1
InChIInChI=1S/C7H14N2O3/c1-8-7(11)9-2-3-12-5-6(10)4-9/h6,10H,2-5H2,1H3,(H,8,11)
InChIKeyCNLRYEMDRBGTST-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.98
Rot. Bonds

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

6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide (PubChem CID 131062493) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
PubChem CID131062493
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
SMILESCNC(=O)N1CCOCC(O)C1
InChIInChI=1S/C7H14N2O3/c1-8-7(11)9-2-3-12-5-6(10)4-9/h6,10H,2-5H2,1H3,(H,8,11)
InChIKeyCNLRYEMDRBGTST-UHFFFAOYSA-N
XLogP-0.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-1,4-oxazepane-4-carboxamide
CID 130942569
butane;N-methylmorpholine-4-carboxamide;propane
CID 143336598
N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide
CID 70728076
(6S)-N-[4-(3-acetylphenyl)phenyl]-6-hydroxy-1,4-oxazepane-4-carboxamide
CID 97285821
6-(methylamino)-1,4-oxazepane-4-carboxylic acid
CID 67518083
(6-hydroxy-1,4-oxazepan-4-yl)-(5-propylthiophen-3-yl)methanone
CID 70730804
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 70766985
N-methyl-2-morpholin-4-yl-2-oxoacetamide
CID 22032272
6-methyl-1,4-oxazepane-4-carbonyl chloride
CID 131001720
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone
CID 74231738
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(6-hydroxy-1,4-oxazepan-4-yl)ethanone
CID 70788494
tert-butyl 6-acetyloxy-1,4-oxazepane-4-carboxylate;tert-butyl 6-hydroxy-1,4-oxazepane-4-carboxylate
CID 159511906

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of 6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide (CID 131062493) is 6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for 6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for 6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide is CNC(=O)N1CCOCC(O)C1.
What is the InChIKey of 6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide?
The InChIKey is CNLRYEMDRBGTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-8-7(11)9-2-3-12-5-6(10)4-9/h6,10H,2-5H2,1H3,(H,8,11).
What are the key properties of 6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide?
6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide has a molecular weight of 174.20 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 131062493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).