N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline

C33H26N4O3 — CID 101481951

IUPACN,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3nnc(-c4ccc(-c5ccccn5)cc4)o3)cc2)cc1
InChIInChI=1S/C33H26N4O3/c1-38-29-18-14-27(15-19-29)37(28-16-20-30(39-2)21-17-28)26-12-10-25(11-13-26)33-36-35-32(40-33)24-8-6-23(7-9-24)31-5-3-4-22-34-31/h3-22H,1-2H3
InChIKeyMPIQTMQUJJQPGX-UHFFFAOYSA-N
MW526.60 g/mol
LogP7.95
Rot. Bonds8

About N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline

N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 101481951) has the molecular formula C33H26N4O3 and a molecular weight of 526.60 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID101481951
Molecular FormulaC33H26N4O3
Molecular Weight526.60 g/mol
Exact Mass526.20
IUPAC NameN,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3nnc(-c4ccc(-c5ccccn5)cc4)o3)cc2)cc1
InChIInChI=1S/C33H26N4O3/c1-38-29-18-14-27(15-19-29)37(28-16-20-30(39-2)21-17-28)26-12-10-25(11-13-26)33-36-35-32(40-33)24-8-6-23(7-9-24)31-5-3-4-22-34-31/h3-22H,1-2H3
InChIKeyMPIQTMQUJJQPGX-UHFFFAOYSA-N
XLogP7.95
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline 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,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
N,N-diphenyl-4-[5-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline;iridium;2-phenylpyridine
CID 157108180
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-(6-pyridin-2-yl-2-pyridinyl)-5-[4-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59236802
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-amine
CID 155812298
2-(4-methoxyphenyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42476331
N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 122435802
2-[2-(4-methoxyphenyl)cyclohexen-1-yl]pyridine
CID 102382394
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline (CID 101481951) is N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3nnc(-c4ccc(-c5ccccn5)cc4)o3)cc2)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is MPIQTMQUJJQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O3/c1-38-29-18-14-27(15-19-29)37(28-16-20-30(39-2)21-17-28)26-12-10-25(11-13-26)33-36-35-32(40-33)24-8-6-23(7-9-24)31-5-3-4-22-34-31/h3-22H,1-2H3.
What are the key properties of N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 526.60 g/mol, XLogP of 7.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 101481951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).