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

C10H16N2O2 — CID 115085883

IUPACN-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine
SMILESCNCc1cnc(C2CCCCO2)o1
InChIInChI=1S/C10H16N2O2/c1-11-6-8-7-12-10(14-8)9-4-2-3-5-13-9/h7,9,11H,2-6H2,1H3
InChIKeyPJTQXBQDKWJKRB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.64
Rot. Bonds3

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

N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine (PubChem CID 115085883) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine
PubChem CID115085883
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine
SMILESCNCc1cnc(C2CCCCO2)o1
InChIInChI=1S/C10H16N2O2/c1-11-6-8-7-12-10(14-8)9-4-2-3-5-13-9/h7,9,11H,2-6H2,1H3
InChIKeyPJTQXBQDKWJKRB-UHFFFAOYSA-N
XLogP1.64
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine (CID 115085883) is N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine is CNCc1cnc(C2CCCCO2)o1.
What is the InChIKey of N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is PJTQXBQDKWJKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-11-6-8-7-12-10(14-8)9-4-2-3-5-13-9/h7,9,11H,2-6H2,1H3.
What are the key properties of N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine?
N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 115085883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).