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

C22H25N3O4 — CID 19244469

IUPACN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(-c2nonc2NC(=O)C(C)Oc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C22H25N3O4/c1-13(2)16-6-8-17(9-7-16)28-15(4)22(26)23-21-20(24-29-25-21)19-11-10-18(27-5)12-14(19)3/h6-13,15H,1-5H3,(H,23,25,26)
InChIKeyABJYDTBTTRISBI-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.58
Rot. Bonds7

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

N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 19244469) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID19244469
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(-c2nonc2NC(=O)C(C)Oc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C22H25N3O4/c1-13(2)16-6-8-17(9-7-16)28-15(4)22(26)23-21-20(24-29-25-21)19-11-10-18(27-5)12-14(19)3/h6-13,15H,1-5H3,(H,23,25,26)
InChIKeyABJYDTBTTRISBI-UHFFFAOYSA-N
XLogP4.58
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide 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

N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19244466
(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 34953133
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
CID 19244479
(2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 7677437
2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 19244551
(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 35126571
(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 40871934
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 17169425
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]propanamide
CID 19244632
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 35129417
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide
CID 17014592

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide (CID 19244469) is N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide is COc1ccc(-c2nonc2NC(=O)C(C)Oc2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is ABJYDTBTTRISBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-13(2)16-6-8-17(9-7-16)28-15(4)22(26)23-21-20(24-29-25-21)19-11-10-18(27-5)12-14(19)3/h6-13,15H,1-5H3,(H,23,25,26).
What are the key properties of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 395.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 19244469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).