N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine

C12H21N3O — CID 115085018

IUPACN-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(C2CCN(C)C2)o1
InChIInChI=1S/C12H21N3O/c1-9(13-2)6-11-7-14-12(16-11)10-4-5-15(3)8-10/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyZQYWLBZJRXXJKD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.24
Rot. Bonds4

About N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine

N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine (PubChem CID 115085018) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine
PubChem CID115085018
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(C2CCN(C)C2)o1
InChIInChI=1S/C12H21N3O/c1-9(13-2)6-11-7-14-12(16-11)10-4-5-15(3)8-10/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyZQYWLBZJRXXJKD-UHFFFAOYSA-N
XLogP1.24
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115085623
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085155
N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089845
2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085042
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115085472
1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115085086
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-5-yl]propan-2-amine
CID 115086399
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine
CID 115084985
N-methyl-1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]methanamine
CID 115085597
2-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085180
N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115085620
1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115081999

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine (CID 115085018) is N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine is CNC(C)Cc1cnc(C2CCN(C)C2)o1.
What is the InChIKey of N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine?
The InChIKey is ZQYWLBZJRXXJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(13-2)6-11-7-14-12(16-11)10-4-5-15(3)8-10/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine?
N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine is sourced from PubChem (CID 115085018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).