2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine

C18H23N3O2 — CID 136557347

IUPAC2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine
SMILESCc1ccccc1CN1CCOC(c2noc(C3CC3C)n2)C1
InChIInChI=1S/C18H23N3O2/c1-12-5-3-4-6-14(12)10-21-7-8-22-16(11-21)17-19-18(23-20-17)15-9-13(15)2/h3-6,13,15-16H,7-11H2,1-2H3
InChIKeyIDYOQHDDWCDKHO-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.07
Rot. Bonds4

About 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine

2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine (PubChem CID 136557347) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine
PubChem CID136557347
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine
SMILESCc1ccccc1CN1CCOC(c2noc(C3CC3C)n2)C1
InChIInChI=1S/C18H23N3O2/c1-12-5-3-4-6-14(12)10-21-7-8-22-16(11-21)17-19-18(23-20-17)15-9-13(15)2/h3-6,13,15-16H,7-11H2,1-2H3
InChIKeyIDYOQHDDWCDKHO-UHFFFAOYSA-N
XLogP3.07
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine 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 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine?
The IUPAC name of 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine (CID 136557347) is 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine.
What is the SMILES notation for 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine?
The canonical SMILES for 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine is Cc1ccccc1CN1CCOC(c2noc(C3CC3C)n2)C1.
What is the InChIKey of 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine?
The InChIKey is IDYOQHDDWCDKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-5-3-4-6-14(12)10-21-7-8-22-16(11-21)17-19-18(23-20-17)15-9-13(15)2/h3-6,13,15-16H,7-11H2,1-2H3.
What are the key properties of 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine?
2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine has a molecular weight of 313.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine is sourced from PubChem (CID 136557347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).