[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium

C18H17ClFN4O2+ — CID 9223729

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(F)c1)Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H16ClFN4O2/c1-24(10-16(25)21-15-4-2-3-14(20)9-15)11-17-22-23-18(26-17)12-5-7-13(19)8-6-12/h2-9H,10-11H2,1H3,(H,21,25)/p+1
InChIKeyRHDQCLBMKZVEDZ-UHFFFAOYSA-O
MW375.81 g/mol
LogP2.18
Rot. Bonds6

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9223729) has the molecular formula C18H17ClFN4O2+ and a molecular weight of 375.81 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID9223729
Molecular FormulaC18H17ClFN4O2+
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(F)c1)Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H16ClFN4O2/c1-24(10-16(25)21-15-4-2-3-14(20)9-15)11-17-22-23-18(26-17)12-5-7-13(19)8-6-12/h2-9H,10-11H2,1H3,(H,21,25)/p+1
InChIKeyRHDQCLBMKZVEDZ-UHFFFAOYSA-O
XLogP2.18
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium 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

3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-fluorophenyl)propanamide
CID 110334681
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223876
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 8815746
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250684
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250786
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250367
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2658601
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9090477
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433890
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846588

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (CID 9223729) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1cccc(F)c1)Cc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is RHDQCLBMKZVEDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16ClFN4O2/c1-24(10-16(25)21-15-4-2-3-14(20)9-15)11-17-22-23-18(26-17)12-5-7-13(19)8-6-12/h2-9H,10-11H2,1H3,(H,21,25)/p+1.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 375.81 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9223729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).