N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide

C20H25N5O4 — CID 144981687

IUPACN'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN1CC(C(=O)NNC(=O)C2CCC2)C1.NC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C10H17N3O2.C10H8N2O2/c1-13-5-8(6-13)10(15)12-11-9(14)7-3-2-4-7;11-10(13)8-6-9(14-12-8)7-4-2-1-3-5-7/h7-8H,2-6H2,1H3,(H,11,14)(H,12,15);1-6H,(H2,11,13)
InChIKeyZNWYTEDRWWRXQM-UHFFFAOYSA-N
MW399.45 g/mol
LogP0.94
Rot. Bonds4

About N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide

N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 144981687) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID144981687
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC NameN'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN1CC(C(=O)NNC(=O)C2CCC2)C1.NC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C10H17N3O2.C10H8N2O2/c1-13-5-8(6-13)10(15)12-11-9(14)7-3-2-4-7;11-10(13)8-6-9(14-12-8)7-4-2-1-3-5-7/h7-8H,2-6H2,1H3,(H,11,14)(H,12,15);1-6H,(H2,11,13)
InChIKeyZNWYTEDRWWRXQM-UHFFFAOYSA-N
XLogP0.94
TPSA130.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 51111295
(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158157
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 52516163

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide (CID 144981687) is N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide is CN1CC(C(=O)NNC(=O)C2CCC2)C1.NC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZNWYTEDRWWRXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.C10H8N2O2/c1-13-5-8(6-13)10(15)12-11-9(14)7-3-2-4-7;11-10(13)8-6-9(14-12-8)7-4-2-1-3-5-7/h7-8H,2-6H2,1H3,(H,11,14)(H,12,15);1-6H,(H2,11,13).
What are the key properties of N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide?
N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutanecarbonyl)-1-methylazetidine-3-carbohydrazide;5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 144981687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).