2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline

C19H15N3O2S — CID 167747987

IUPAC2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESc1ccc(Oc2ccccc2NCc2noc(-c3ccsc3)n2)cc1
InChIInChI=1S/C19H15N3O2S/c1-2-6-15(7-3-1)23-17-9-5-4-8-16(17)20-12-18-21-19(24-22-18)14-10-11-25-13-14/h1-11,13,20H,12H2
InChIKeyBAPUBKZXCTVTAU-UHFFFAOYSA-N
MW349.42 g/mol
LogP5.20
Rot. Bonds6

About 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline

2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline (PubChem CID 167747987) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline
PubChem CID167747987
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESc1ccc(Oc2ccccc2NCc2noc(-c3ccsc3)n2)cc1
InChIInChI=1S/C19H15N3O2S/c1-2-6-15(7-3-1)23-17-9-5-4-8-16(17)20-12-18-21-19(24-22-18)14-10-11-25-13-14/h1-11,13,20H,12H2
InChIKeyBAPUBKZXCTVTAU-UHFFFAOYSA-N
XLogP5.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]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

2-[2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]sulfanylacetamide
CID 71859126
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
2,2,3-trimethyl-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
CID 65264570
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
5-chloro-N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyaniline
CID 166392158
2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol
CID 75436513
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79790929
N-benzyl-1-phenyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 112812417
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline
CID 29041025
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetic acid
CID 43169810
N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyethoxy)aniline
CID 75378202

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The IUPAC name of 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline (CID 167747987) is 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The canonical SMILES for 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline is c1ccc(Oc2ccccc2NCc2noc(-c3ccsc3)n2)cc1.
What is the InChIKey of 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The InChIKey is BAPUBKZXCTVTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-2-6-15(7-3-1)23-17-9-5-4-8-16(17)20-12-18-21-19(24-22-18)14-10-11-25-13-14/h1-11,13,20H,12H2.
What are the key properties of 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline?
2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline has a molecular weight of 349.42 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]aniline is sourced from PubChem (CID 167747987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).