1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine

C13H22N2O3 — CID 155974225

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCC(C)c1ocnc1CN(C)CC1COCCO1
InChIInChI=1S/C13H22N2O3/c1-10(2)13-12(14-9-18-13)7-15(3)6-11-8-16-4-5-17-11/h9-11H,4-8H2,1-3H3
InChIKeyZBYHJCDKHJRIDM-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.65
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine

1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine (PubChem CID 155974225) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine
PubChem CID155974225
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCC(C)c1ocnc1CN(C)CC1COCCO1
InChIInChI=1S/C13H22N2O3/c1-10(2)13-12(14-9-18-13)7-15(3)6-11-8-16-4-5-17-11/h9-11H,4-8H2,1-3H3
InChIKeyZBYHJCDKHJRIDM-UHFFFAOYSA-N
XLogP1.65
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine (CID 155974225) is 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine is CC(C)c1ocnc1CN(C)CC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The InChIKey is ZBYHJCDKHJRIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(2)13-12(14-9-18-13)7-15(3)6-11-8-16-4-5-17-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 155974225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).