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

C12H20N2O2 — CID 115085315

IUPACN-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(CC2CCOC2)o1
InChIInChI=1S/C12H20N2O2/c1-13-5-2-3-11-8-14-12(16-11)7-10-4-6-15-9-10/h8,10,13H,2-7,9H2,1H3
InChIKeyRVYNWDIVGIOXDA-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.41
Rot. Bonds6

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

N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine (PubChem CID 115085315) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
PubChem CID115085315
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(CC2CCOC2)o1
InChIInChI=1S/C12H20N2O2/c1-13-5-2-3-11-8-14-12(16-11)7-10-4-6-15-9-10/h8,10,13H,2-7,9H2,1H3
InChIKeyRVYNWDIVGIOXDA-UHFFFAOYSA-N
XLogP1.41
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085482
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085273
N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103985627
N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085300
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylpropan-1-amine
CID 115086252
N-methyl-3-[2-(oxan-3-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083477
[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol
CID 115085348
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090291
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082555
N-methyl-3-[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115087589
2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
CID 115086866
N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103985851

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine (CID 115085315) is N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine is CNCCCc1cnc(CC2CCOC2)o1.
What is the InChIKey of N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
The InChIKey is RVYNWDIVGIOXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-5-2-3-11-8-14-12(16-11)7-10-4-6-15-9-10/h8,10,13H,2-7,9H2,1H3.
What are the key properties of N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine?
N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 115085315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).