methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate

C18H17N3O3 — CID 110653773

IUPACmethyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccc(NCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-23-18(22)14-7-9-15(10-8-14)19-12-11-16-20-21-17(24-16)13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3
InChIKeyZXURCXXBRLDZJY-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.18
Rot. Bonds6

About methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate

methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate (PubChem CID 110653773) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
PubChem CID110653773
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namemethyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccc(NCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-23-18(22)14-7-9-15(10-8-14)19-12-11-16-20-21-17(24-16)13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3
InChIKeyZXURCXXBRLDZJY-UHFFFAOYSA-N
XLogP3.18
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate with MolForge

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Related Compounds

4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653733
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
methyl 4-[[methyl-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]benzoate
CID 37414906
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 110653204
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
CID 46387997
methyl 4-[2-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]ethyl]benzoate
CID 55515291
2-(4-methoxyphenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653679
methyl 4-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334549
ethyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78793128
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate?
The IUPAC name of methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate (CID 110653773) is methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate?
The canonical SMILES for methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate is COC(=O)c1ccc(NCCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate?
The InChIKey is ZXURCXXBRLDZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-18(22)14-7-9-15(10-8-14)19-12-11-16-20-21-17(24-16)13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3.
What are the key properties of methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate?
methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate has a molecular weight of 323.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate is sourced from PubChem (CID 110653773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).