2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine

C11H18N2O2 — CID 115026955

IUPAC2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1oc(CCN)nc1C1CCCOC1
InChIInChI=1S/C11H18N2O2/c1-8-11(9-3-2-6-14-7-9)13-10(15-8)4-5-12/h9H,2-7,12H2,1H3
InChIKeyVZBCVEFYESODFM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.38
Rot. Bonds3

About 2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine

2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 115026955) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID115026955
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1oc(CCN)nc1C1CCCOC1
InChIInChI=1S/C11H18N2O2/c1-8-11(9-3-2-6-14-7-9)13-10(15-8)4-5-12/h9H,2-7,12H2,1H3
InChIKeyVZBCVEFYESODFM-UHFFFAOYSA-N
XLogP1.38
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 115026955) is 2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine is Cc1oc(CCN)nc1C1CCCOC1.
What is the InChIKey of 2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is VZBCVEFYESODFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-11(9-3-2-6-14-7-9)13-10(15-8)4-5-12/h9H,2-7,12H2,1H3.
What are the key properties of 2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine?
2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 210.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 115026955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).