propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate

C19H18FN3O3 — CID 78822750

IUPACpropyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
SMILESCCCOC(=O)c1ccc(NCc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C19H18FN3O3/c1-2-11-25-19(24)14-5-9-16(10-6-14)21-12-17-22-23-18(26-17)13-3-7-15(20)8-4-13/h3-10,21H,2,11-12H2,1H3
InChIKeyRHIDIIKGEJILMH-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.05
Rot. Bonds7

About propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate

propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate (PubChem CID 78822750) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
PubChem CID78822750
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Namepropyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
SMILESCCCOC(=O)c1ccc(NCc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C19H18FN3O3/c1-2-11-25-19(24)14-5-9-16(10-6-14)21-12-17-22-23-18(26-17)13-3-7-15(20)8-4-13/h3-10,21H,2,11-12H2,1H3
InChIKeyRHIDIIKGEJILMH-UHFFFAOYSA-N
XLogP4.05
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate with MolForge

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Related Compounds

ethyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78793128
propyl 4-[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 7277493
4-ethoxy-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 78792997
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-propan-2-ylaniline
CID 78793132
methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 110653204
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)aniline
CID 78795445
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
methyl 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78822546
propyl 4-(pyridin-4-ylmethylamino)benzoate
CID 43217486
propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate
CID 62760898
2-ethyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]butanamide
CID 110319098
1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea
CID 110319164

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate?
The IUPAC name of propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate (CID 78822750) is propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate.
What is the SMILES notation for propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate?
The canonical SMILES for propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate is CCCOC(=O)c1ccc(NCc2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate?
The InChIKey is RHIDIIKGEJILMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-2-11-25-19(24)14-5-9-16(10-6-14)21-12-17-22-23-18(26-17)13-3-7-15(20)8-4-13/h3-10,21H,2,11-12H2,1H3.
What are the key properties of propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate?
propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate has a molecular weight of 355.37 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate is sourced from PubChem (CID 78822750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).