[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium

C18H18ClN4O2+ — CID 9037057

IUPAC[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1Cl)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H17ClN4O2/c1-23(11-16(24)20-15-10-6-5-9-14(15)19)12-17-21-18(22-25-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,24)/p+1
InChIKeyORRNMTPBIRUAJK-UHFFFAOYSA-O
MW357.82 g/mol
LogP2.04
Rot. Bonds6

About [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium

[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium (PubChem CID 9037057) has the molecular formula C18H18ClN4O2+ and a molecular weight of 357.82 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium
PubChem CID9037057
Molecular FormulaC18H18ClN4O2+
Molecular Weight357.82 g/mol
Exact Mass357.11
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1Cl)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H17ClN4O2/c1-23(11-16(24)20-15-10-6-5-9-14(15)19)12-17-21-18(22-25-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,24)/p+1
InChIKeyORRNMTPBIRUAJK-UHFFFAOYSA-O
XLogP2.04
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium with MolForge

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl]-methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]azanium
CID 8843722
methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium
CID 8592773
[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]azanium
CID 8551916
N-(2-chlorophenyl)-3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 46405467
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9043829
N-[2-(2-chlorophenoxy)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24597772
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9287322
2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 8843577
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757053
benzyl-[3-(2-chloroanilino)-3-oxopropyl]-methylazanium
CID 6981256
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 9036328

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium (CID 9037057) is [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium is C[NH+](CC(=O)Nc1ccccc1Cl)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium?
The InChIKey is ORRNMTPBIRUAJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17ClN4O2/c1-23(11-16(24)20-15-10-6-5-9-14(15)19)12-17-21-18(22-25-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,24)/p+1.
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium?
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium has a molecular weight of 357.82 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl]-methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium is sourced from PubChem (CID 9037057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).