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

C10H17N3O — CID 66186598

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine
SMILESCc1noc(C)c1CN(C)C1CNC1
InChIInChI=1S/C10H17N3O/c1-7-10(8(2)14-12-7)6-13(3)9-4-11-5-9/h9,11H,4-6H2,1-3H3
InChIKeyYCSZWZCAXGSLNH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.70
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine (PubChem CID 66186598) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine
PubChem CID66186598
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine
SMILESCc1noc(C)c1CN(C)C1CNC1
InChIInChI=1S/C10H17N3O/c1-7-10(8(2)14-12-7)6-13(3)9-4-11-5-9/h9,11H,4-6H2,1-3H3
InChIKeyYCSZWZCAXGSLNH-UHFFFAOYSA-N
XLogP0.70
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922917
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]azetidin-3-amine
CID 66185057
4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 63909845
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine
CID 51081840
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60964165
N-methyl-N-(pyridin-4-ylmethyl)azetidin-3-amine
CID 62786509
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267409
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 56778134
(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 95614088
3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83484496

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine (CID 66186598) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine is Cc1noc(C)c1CN(C)C1CNC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine?
The InChIKey is YCSZWZCAXGSLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-10(8(2)14-12-7)6-13(3)9-4-11-5-9/h9,11H,4-6H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 66186598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).