3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline

C20H18ClN5O2 — CID 19330676

IUPAC3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline
SMILESCc1cc(OCn2ccc(-c3nc(-c4cccc(N)c4C)no3)n2)ccc1Cl
InChIInChI=1S/C20H18ClN5O2/c1-12-10-14(6-7-16(12)21)27-11-26-9-8-18(24-26)20-23-19(25-28-20)15-4-3-5-17(22)13(15)2/h3-10H,11,22H2,1-2H3
InChIKeySKWMXCXBFZXIMP-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.49
Rot. Bonds5

About 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline

3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline (PubChem CID 19330676) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline.

Molecular Properties

Compound Name3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline
PubChem CID19330676
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline
SMILESCc1cc(OCn2ccc(-c3nc(-c4cccc(N)c4C)no3)n2)ccc1Cl
InChIInChI=1S/C20H18ClN5O2/c1-12-10-14(6-7-16(12)21)27-11-26-9-8-18(24-26)20-23-19(25-28-20)15-4-3-5-17(22)13(15)2/h3-10H,11,22H2,1-2H3
InChIKeySKWMXCXBFZXIMP-UHFFFAOYSA-N
XLogP4.49
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline 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

3-[5-[1-[(2,4-dichlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330653
3-[5-[1-[(2,3-dichlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330648
5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334537
5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326414
5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7916308
2-methyl-3-[5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 19330608
3-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 100558702
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
2-methyl-3-[5-[3-[(4-propan-2-ylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 19330487
5-[1-[(2,3-dichlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326371
3-[5-(3-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330655
dimethyl 5-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19271311

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline?
The IUPAC name of 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline (CID 19330676) is 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline.
What is the SMILES notation for 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline?
The canonical SMILES for 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline is Cc1cc(OCn2ccc(-c3nc(-c4cccc(N)c4C)no3)n2)ccc1Cl.
What is the InChIKey of 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline?
The InChIKey is SKWMXCXBFZXIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-12-10-14(6-7-16(12)21)27-11-26-9-8-18(24-26)20-23-19(25-28-20)15-4-3-5-17(22)13(15)2/h3-10H,11,22H2,1-2H3.
What are the key properties of 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline?
3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline has a molecular weight of 395.85 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-2-methylaniline is sourced from PubChem (CID 19330676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).