3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine

C12H21N3O — CID 115083165

IUPAC3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESCN1CCCC1Cc1nc(CCCN)co1
InChIInChI=1S/C12H21N3O/c1-15-7-3-5-11(15)8-12-14-10(9-16-12)4-2-6-13/h9,11H,2-8,13H2,1H3
InChIKeyWMOUAHFFWUEBST-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds5

About 3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine

3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115083165) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115083165
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESCN1CCCC1Cc1nc(CCCN)co1
InChIInChI=1S/C12H21N3O/c1-15-7-3-5-11(15)8-12-14-10(9-16-12)4-2-6-13/h9,11H,2-8,13H2,1H3
InChIKeyWMOUAHFFWUEBST-UHFFFAOYSA-N
XLogP1.20
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082404
3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082709
3-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115083160
3-(2-propyl-1,3-oxazol-4-yl)propan-1-amine
CID 115084229
N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082563
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082387
1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083115
3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115083507
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084149
[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridin-5-yl]methanamine
CID 117132004
[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082508

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine (CID 115083165) is 3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine is CN1CCCC1Cc1nc(CCCN)co1.
What is the InChIKey of 3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is WMOUAHFFWUEBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-7-3-5-11(15)8-12-14-10(9-16-12)4-2-6-13/h9,11H,2-8,13H2,1H3.
What are the key properties of 3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115083165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).