N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C23H27N3O3 — CID 100753969

IUPACN-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3ccccc3C)no2)c1
InChIInChI=1S/C23H27N3O3/c1-15(2)18-11-10-16(3)12-20(18)28-14-22(27)26(5)13-21-24-23(25-29-21)19-9-7-6-8-17(19)4/h6-12,15H,13-14H2,1-5H3
InChIKeyIQPINHMIPPNCFA-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.51
Rot. Bonds7

About N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 100753969) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID100753969
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3ccccc3C)no2)c1
InChIInChI=1S/C23H27N3O3/c1-15(2)18-11-10-16(3)12-20(18)28-14-22(27)26(5)13-21-24-23(25-29-21)19-9-7-6-8-17(19)4/h6-12,15H,13-14H2,1-5H3
InChIKeyIQPINHMIPPNCFA-UHFFFAOYSA-N
XLogP4.51
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 99639452
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100579097
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 50874765
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133163789
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 112790561
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874480
3-(2-fluorophenyl)-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100510611
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 40918671
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-N,2-dimethyl-5-propan-2-ylbenzamide
CID 100717151
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 50875111
2-(3,4-dimethylphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8875001

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 100753969) is N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3ccccc3C)no2)c1.
What is the InChIKey of N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is IQPINHMIPPNCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)18-11-10-16(3)12-20(18)28-14-22(27)26(5)13-21-24-23(25-29-21)19-9-7-6-8-17(19)4/h6-12,15H,13-14H2,1-5H3.
What are the key properties of N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 393.49 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 100753969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).