2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one

C20H18N2O3 — CID 25019608

IUPAC2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one
SMILESC=C(C)C(=O)c1ccc(OCc2nc(-c3ccccc3)no2)cc1C
InChIInChI=1S/C20H18N2O3/c1-13(2)19(23)17-10-9-16(11-14(17)3)24-12-18-21-20(22-25-18)15-7-5-4-6-8-15/h4-11H,1,12H2,2-3H3
InChIKeyUCKSRLWAJDITNU-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.38
Rot. Bonds6

About 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one

2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one (PubChem CID 25019608) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one
PubChem CID25019608
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one
SMILESC=C(C)C(=O)c1ccc(OCc2nc(-c3ccccc3)no2)cc1C
InChIInChI=1S/C20H18N2O3/c1-13(2)19(23)17-10-9-16(11-14(17)3)24-12-18-21-20(22-25-18)15-7-5-4-6-8-15/h4-11H,1,12H2,2-3H3
InChIKeyUCKSRLWAJDITNU-UHFFFAOYSA-N
XLogP4.38
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one 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-[3-[5-[3-(Methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetic acid
CID 59495631
3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 645424
5-(3,4-Diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 3156036
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(4-((5-(3,5-Difluorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-2-isopropoxypropanoic acid
CID 44316568
4-[4,4-Dimethyl-2-oxo-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 56666855
5-[(2-Methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 705847
3-(4-Methoxybenzyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 817371
5-[(2,4-Dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 876417
5-[(2,3-Dimethylphenoxy)methyl]-3-(2-methoxybenzyl)-1,2,4-oxadiazole
CID 888314
5-(2-Biphenylyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 976183
5-(2-Biphenylyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 1307393

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one?
The IUPAC name of 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one (CID 25019608) is 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one is C=C(C)C(=O)c1ccc(OCc2nc(-c3ccccc3)no2)cc1C.
What is the InChIKey of 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one?
The InChIKey is UCKSRLWAJDITNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13(2)19(23)17-10-9-16(11-14(17)3)24-12-18-21-20(22-25-18)15-7-5-4-6-8-15/h4-11H,1,12H2,2-3H3.
What are the key properties of 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one?
2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one has a molecular weight of 334.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-en-1-one is sourced from PubChem (CID 25019608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).