N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine

C14H23N5O2 — CID 74240351

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine
SMILESCOCCc1noc(CN(C)Cc2cncn2C(C)C)n1
InChIInChI=1S/C14H23N5O2/c1-11(2)19-10-15-7-12(19)8-18(3)9-14-16-13(17-21-14)5-6-20-4/h7,10-11H,5-6,8-9H2,1-4H3
InChIKeyYHGDGUGSAVZVEF-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.67
Rot. Bonds8

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine (PubChem CID 74240351) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine
PubChem CID74240351
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine
SMILESCOCCc1noc(CN(C)Cc2cncn2C(C)C)n1
InChIInChI=1S/C14H23N5O2/c1-11(2)19-10-15-7-12(19)8-18(3)9-14-16-13(17-21-14)5-6-20-4/h7,10-11H,5-6,8-9H2,1-4H3
InChIKeyYHGDGUGSAVZVEF-UHFFFAOYSA-N
XLogP1.67
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)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 N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine (CID 74240351) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine is COCCc1noc(CN(C)Cc2cncn2C(C)C)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The InChIKey is YHGDGUGSAVZVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11(2)19-10-15-7-12(19)8-18(3)9-14-16-13(17-21-14)5-6-20-4/h7,10-11H,5-6,8-9H2,1-4H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine has a molecular weight of 293.37 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)methanamine is sourced from PubChem (CID 74240351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).