N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine

C9H14N2O — CID 28780690

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine
SMILESCc1noc(C)c1CNC1CC1
InChIInChI=1S/C9H14N2O/c1-6-9(7(2)12-11-6)5-10-8-3-4-8/h8,10H,3-5H2,1-2H3
InChIKeyWOQINBWXORXYAX-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.54
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine (PubChem CID 28780690) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine
PubChem CID28780690
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine
SMILESCc1noc(C)c1CNC1CC1
InChIInChI=1S/C9H14N2O/c1-6-9(7(2)12-11-6)5-10-8-3-4-8/h8,10H,3-5H2,1-2H3
InChIKeyWOQINBWXORXYAX-UHFFFAOYSA-N
XLogP1.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
2-(Dimethyl-1,2-oxazol-4-yl)ethan-1-amine
CID 2758570
(Dimethyl-1,2-oxazol-4-yl)methanamine
CID 11018874
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
1-[(Dimethyl-1,2-oxazol-4-yl)methyl]piperazine
CID 2772401
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
alpha,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006348
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684
1-(3,5-Dimethylisoxazol-4-Yl)Methanamine Hydrochloride
CID 45782704
1-(Dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 71757345
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 47169936

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine (CID 28780690) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine is Cc1noc(C)c1CNC1CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine?
The InChIKey is WOQINBWXORXYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-9(7(2)12-11-6)5-10-8-3-4-8/h8,10H,3-5H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine has a molecular weight of 166.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 28780690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).