3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline

C22H17Cl2N3O2 — CID 41142796

IUPAC3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1Cl
InChIInChI=1S/C22H17Cl2N3O2/c1-28-19-12-11-15(13-18(19)24)25-20(14-7-3-2-4-8-14)22-27-26-21(29-22)16-9-5-6-10-17(16)23/h2-13,20,25H,1H3/t20-/m0/s1
InChIKeySCGQHFSAVWDPHP-FQEVSTJZSA-N
MW426.30 g/mol
LogP6.25
Rot. Bonds6

About 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline

3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline (PubChem CID 41142796) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline
PubChem CID41142796
Molecular FormulaC22H17Cl2N3O2
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC Name3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1Cl
InChIInChI=1S/C22H17Cl2N3O2/c1-28-19-12-11-15(13-18(19)24)25-20(14-7-3-2-4-8-14)22-27-26-21(29-22)16-9-5-6-10-17(16)23/h2-13,20,25H,1H3/t20-/m0/s1
InChIKeySCGQHFSAVWDPHP-FQEVSTJZSA-N
XLogP6.25
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline 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-chloro-N-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylaniline
CID 40646118
3-chloro-N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxyaniline
CID 22432841
N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-propan-2-ylaniline
CID 41173442
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxyaniline
CID 22432817
1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-methoxyphenyl)urea
CID 41143360
N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline
CID 92700747
3-chloro-N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 22433293
4-bromo-N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methylaniline
CID 41123778
3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 92656819
3-chloro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylaniline
CID 22432969
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3-fluoro-4-methylphenyl)urea
CID 20960259
1-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3-fluoro-4-methylphenyl)urea
CID 28914854

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline?
The IUPAC name of 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline (CID 41142796) is 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline.
What is the SMILES notation for 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline?
The canonical SMILES for 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline is COc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline?
The InChIKey is SCGQHFSAVWDPHP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c1-28-19-12-11-15(13-18(19)24)25-20(14-7-3-2-4-8-14)22-27-26-21(29-22)16-9-5-6-10-17(16)23/h2-13,20,25H,1H3/t20-/m0/s1.
What are the key properties of 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline?
3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline has a molecular weight of 426.30 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxyaniline is sourced from PubChem (CID 41142796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).