4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline

C23H21N3O3 — CID 134032596

IUPAC4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
SMILESCOc1ccccc1Oc1ccc(NC(C)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H21N3O3/c1-16(22-25-26-23(29-22)17-8-4-3-5-9-17)24-18-12-14-19(15-13-18)28-21-11-7-6-10-20(21)27-2/h3-16,24H,1-2H3
InChIKeyODHFZRFBLWCRJO-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.71
Rot. Bonds7

About 4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline

4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline (PubChem CID 134032596) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
PubChem CID134032596
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
SMILESCOc1ccccc1Oc1ccc(NC(C)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H21N3O3/c1-16(22-25-26-23(29-22)17-8-4-3-5-9-17)24-18-12-14-19(15-13-18)28-21-11-7-6-10-20(21)27-2/h3-16,24H,1-2H3
InChIKeyODHFZRFBLWCRJO-UHFFFAOYSA-N
XLogP5.71
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 32509192
4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25343436
N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329403
N-[4-methoxy-3-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 55431879
2-methoxy-N,N-dimethyl-5-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzenesulfonamide
CID 42896591
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
N-methyl-N-[4-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 71936171
4-ethoxy-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25357173
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
CID 40881264
4-methyl-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 41036756
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439
2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 118528215

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The IUPAC name of 4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline (CID 134032596) is 4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline is COc1ccccc1Oc1ccc(NC(C)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The InChIKey is ODHFZRFBLWCRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16(22-25-26-23(29-22)17-8-4-3-5-9-17)24-18-12-14-19(15-13-18)28-21-11-7-6-10-20(21)27-2/h3-16,24H,1-2H3.
What are the key properties of 4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline has a molecular weight of 387.44 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 134032596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).