N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine

C9H14N2O2 — CID 65178720

IUPACN-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine
SMILESCNCc1ncc(C2CCCO2)o1
InChIInChI=1S/C9H14N2O2/c1-10-6-9-11-5-8(13-9)7-3-2-4-12-7/h5,7,10H,2-4,6H2,1H3
InChIKeyVWGABVVIZUYGJT-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.25
Rot. Bonds3

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

N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65178720) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine
PubChem CID65178720
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine
SMILESCNCc1ncc(C2CCCO2)o1
InChIInChI=1S/C9H14N2O2/c1-10-6-9-11-5-8(13-9)7-3-2-4-12-7/h5,7,10H,2-4,6H2,1H3
InChIKeyVWGABVVIZUYGJT-UHFFFAOYSA-N
XLogP1.25
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine (CID 65178720) is N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine is CNCc1ncc(C2CCCO2)o1.
What is the InChIKey of N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is VWGABVVIZUYGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-10-6-9-11-5-8(13-9)7-3-2-4-12-7/h5,7,10H,2-4,6H2,1H3.
What are the key properties of N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine?
N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 182.22 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65178720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).