N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline

C22H19N3O3 — CID 110653037

IUPACN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline
SMILESCOc1ccc(-c2nnc(CNc3ccc(Oc4ccccc4)cc3)o2)cc1
InChIInChI=1S/C22H19N3O3/c1-26-18-11-7-16(8-12-18)22-25-24-21(28-22)15-23-17-9-13-20(14-10-17)27-19-5-3-2-4-6-19/h2-14,23H,15H2,1H3
InChIKeySWEOEMDHPVUCEX-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.15
Rot. Bonds7

About N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline

N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline (PubChem CID 110653037) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline
PubChem CID110653037
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline
SMILESCOc1ccc(-c2nnc(CNc3ccc(Oc4ccccc4)cc3)o2)cc1
InChIInChI=1S/C22H19N3O3/c1-26-18-11-7-16(8-12-18)22-25-24-21(28-22)15-23-17-9-13-20(14-10-17)27-19-5-3-2-4-6-19/h2-14,23H,15H2,1H3
InChIKeySWEOEMDHPVUCEX-UHFFFAOYSA-N
XLogP5.15
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793077
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylaniline
CID 110652972
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-amine
CID 155812298
4-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylaniline
CID 75380556
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590
4-tert-butyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652825
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline
CID 110653012
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
CID 5122987
4-ethoxy-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 78792997
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethylaniline
CID 110652977
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 78795471

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline (CID 110653037) is N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline is COc1ccc(-c2nnc(CNc3ccc(Oc4ccccc4)cc3)o2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline?
The InChIKey is SWEOEMDHPVUCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-26-18-11-7-16(8-12-18)22-25-24-21(28-22)15-23-17-9-13-20(14-10-17)27-19-5-3-2-4-6-19/h2-14,23H,15H2,1H3.
What are the key properties of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline?
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline has a molecular weight of 373.41 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 110653037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).