2-methyl-1,4-oxazepane-4-carbohydrazide

C7H15N3O2 — CID 62968526

IUPAC2-methyl-1,4-oxazepane-4-carbohydrazide
SMILESCC1CN(C(=O)NN)CCCO1
InChIInChI=1S/C7H15N3O2/c1-6-5-10(7(11)9-8)3-2-4-12-6/h6H,2-5,8H2,1H3,(H,9,11)
InChIKeyNFLKAAAYYUBPKA-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.32
Rot. Bonds

About 2-methyl-1,4-oxazepane-4-carbohydrazide

2-methyl-1,4-oxazepane-4-carbohydrazide (PubChem CID 62968526) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-methyl-1,4-oxazepane-4-carbohydrazide.

Molecular Properties

Compound Name2-methyl-1,4-oxazepane-4-carbohydrazide
PubChem CID62968526
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-methyl-1,4-oxazepane-4-carbohydrazide
SMILESCC1CN(C(=O)NN)CCCO1
InChIInChI=1S/C7H15N3O2/c1-6-5-10(7(11)9-8)3-2-4-12-6/h6H,2-5,8H2,1H3,(H,9,11)
InChIKeyNFLKAAAYYUBPKA-UHFFFAOYSA-N
XLogP-0.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62973098
2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide
CID 115760659
(2S)-5-amino-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]-5-oxopentanoic acid
CID 62968335
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
(4-amino-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987389
(5-chloro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967669
4-methyl-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967106
4-methyl-4-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967281
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-oxazepane-4-carbohydrazide?
The IUPAC name of 2-methyl-1,4-oxazepane-4-carbohydrazide (CID 62968526) is 2-methyl-1,4-oxazepane-4-carbohydrazide.
What is the SMILES notation for 2-methyl-1,4-oxazepane-4-carbohydrazide?
The canonical SMILES for 2-methyl-1,4-oxazepane-4-carbohydrazide is CC1CN(C(=O)NN)CCCO1.
What is the InChIKey of 2-methyl-1,4-oxazepane-4-carbohydrazide?
The InChIKey is NFLKAAAYYUBPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-6-5-10(7(11)9-8)3-2-4-12-6/h6H,2-5,8H2,1H3,(H,9,11).
What are the key properties of 2-methyl-1,4-oxazepane-4-carbohydrazide?
2-methyl-1,4-oxazepane-4-carbohydrazide has a molecular weight of 173.22 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-oxazepane-4-carbohydrazide is sourced from PubChem (CID 62968526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).