3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde

C16H21N3O2 — CID 145111341

IUPAC3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde
SMILESCNC1CC(CN)C1.O=Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C10H7NO2.C6H14N2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8;1-8-6-2-5(3-6)4-7/h1-7H;5-6,8H,2-4,7H2,1H3
InChIKeyPIKKNPQXXWONHC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.10
Rot. Bonds4

About 3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde

3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde (PubChem CID 145111341) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde
PubChem CID145111341
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde
SMILESCNC1CC(CN)C1.O=Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C10H7NO2.C6H14N2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8;1-8-6-2-5(3-6)4-7/h1-7H;5-6,8H,2-4,7H2,1H3
InChIKeyPIKKNPQXXWONHC-UHFFFAOYSA-N
XLogP2.10
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(aminomethyl)-3-(3-phenyl-1,2-oxazol-5-yl)prop-2-enoic acid
CID 11253566
3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde
CID 82126942
[4-(methylamino)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119563333
(E)-1-(3-phenyl-1,2-oxazol-5-yl)pent-1-en-3-one
CID 154926167
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121439934
(3E)-5-acetyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylidene]oxolan-2-one
CID 101105045
2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride
CID 58504285
methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637
N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 121448095
2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977205
N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane
CID 159422237

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde (CID 145111341) is 3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde is CNC1CC(CN)C1.O=Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde?
The InChIKey is PIKKNPQXXWONHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C6H14N2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8;1-8-6-2-5(3-6)4-7/h1-7H;5-6,8H,2-4,7H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde?
3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde has a molecular weight of 287.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 145111341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).