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

C11H18N2O2 — CID 86788992

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1cc(CNC(C)C2CCCO2)no1
InChIInChI=1S/C11H18N2O2/c1-8-6-10(13-15-8)7-12-9(2)11-4-3-5-14-11/h6,9,11-12H,3-5,7H2,1-2H3
InChIKeyOFHJWVJOHFORHJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.64
Rot. Bonds4

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

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 86788992) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID86788992
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1cc(CNC(C)C2CCCO2)no1
InChIInChI=1S/C11H18N2O2/c1-8-6-10(13-15-8)7-12-9(2)11-4-3-5-14-11/h6,9,11-12H,3-5,7H2,1-2H3
InChIKeyOFHJWVJOHFORHJ-UHFFFAOYSA-N
XLogP1.64
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
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-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine (CID 86788992) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine is Cc1cc(CNC(C)C2CCCO2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is OFHJWVJOHFORHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-6-10(13-15-8)7-12-9(2)11-4-3-5-14-11/h6,9,11-12H,3-5,7H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 210.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 86788992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).