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

C11H20ClN3O — CID 119922917

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCc1noc(C)c1CN(C)C1CCNC1.Cl
InChIInChI=1S/C11H19N3O.ClH/c1-8-11(9(2)15-13-8)7-14(3)10-4-5-12-6-10;/h10,12H,4-7H2,1-3H3;1H
InChIKeyBBZDWEUCMDAKOH-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.51
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 119922917) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID119922917
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCc1noc(C)c1CN(C)C1CCNC1.Cl
InChIInChI=1S/C11H19N3O.ClH/c1-8-11(9(2)15-13-8)7-14(3)10-4-5-12-6-10;/h10,12H,4-7H2,1-3H3;1H
InChIKeyBBZDWEUCMDAKOH-UHFFFAOYSA-N
XLogP1.51
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.51
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-methylazetidin-3-amine
CID 66186598
N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115118911
N,3,5-trimethyl-N-pyrrolidin-3-yl-1,2-oxazole-4-carboxamide
CID 63297742
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83484496
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119923037
N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63301786
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
CID 115118961
(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641686
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine
CID 51081840
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119923094
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60964165

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 119922917) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is Cc1noc(C)c1CN(C)C1CCNC1.Cl.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is BBZDWEUCMDAKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O.ClH/c1-8-11(9(2)15-13-8)7-14(3)10-4-5-12-6-10;/h10,12H,4-7H2,1-3H3;1H.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 1.51, 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-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119922917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).