N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine

C22H21N5O3 — CID 10069735

IUPACN-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(CNc2ncccc2-c2nnc(Nc3cccc(OC)c3)o2)cc1
InChIInChI=1S/C22H21N5O3/c1-28-17-10-8-15(9-11-17)14-24-20-19(7-4-12-23-20)21-26-27-22(30-21)25-16-5-3-6-18(13-16)29-2/h3-13H,14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyGVMLTBMSGWZZEX-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.50
Rot. Bonds8

About N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine

N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 10069735) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID10069735
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(CNc2ncccc2-c2nnc(Nc3cccc(OC)c3)o2)cc1
InChIInChI=1S/C22H21N5O3/c1-28-17-10-8-15(9-11-17)14-24-20-19(7-4-12-23-20)21-26-27-22(30-21)25-16-5-3-6-18(13-16)29-2/h3-13H,14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyGVMLTBMSGWZZEX-UHFFFAOYSA-N
XLogP4.50
TPSA94.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine 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-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 11668206
N-phenyl-5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 90667490
5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644886
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 83275070
N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 87050158
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 157018633
3-N-(3-methoxyphenyl)-5-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951108
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
N-(3,4-dimethoxyphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 23644894
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
N-[(4-methoxyphenyl)methyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 142725456

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 10069735) is N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine is COc1ccc(CNc2ncccc2-c2nnc(Nc3cccc(OC)c3)o2)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GVMLTBMSGWZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-28-17-10-8-15(9-11-17)14-24-20-19(7-4-12-23-20)21-26-27-22(30-21)25-16-5-3-6-18(13-16)29-2/h3-13H,14H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 403.44 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 10069735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).