[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium

C24H28ClN4O3+ — CID 2559930

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(C)cc1NC(=O)C[NH+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1
InChIInChI=1S/C24H27ClN4O3/c1-16-7-12-21(31-2)20(13-16)26-22(30)14-29(19-5-3-4-6-19)15-23-27-28-24(32-23)17-8-10-18(25)11-9-17/h7-13,19H,3-6,14-15H2,1-2H3,(H,26,30)/p+1
InChIKeyVOCVUHHXNJMIBO-UHFFFAOYSA-O
MW455.97 g/mol
LogP3.67
Rot. Bonds8

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium (PubChem CID 2559930) has the molecular formula C24H28ClN4O3+ and a molecular weight of 455.97 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
PubChem CID2559930
Molecular FormulaC24H28ClN4O3+
Molecular Weight455.97 g/mol
Exact Mass455.18
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(C)cc1NC(=O)C[NH+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1
InChIInChI=1S/C24H27ClN4O3/c1-16-7-12-21(31-2)20(13-16)26-22(30)14-29(19-5-3-4-6-19)15-23-27-28-24(32-23)17-8-10-18(25)11-9-17/h7-13,19H,3-6,14-15H2,1-2H3,(H,26,30)/p+1
InChIKeyVOCVUHHXNJMIBO-UHFFFAOYSA-O
XLogP3.67
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55584992
4-chloro-N-[N-(2-methoxy-5-methylphenyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidoyl]benzamide
CID 94090253
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
2-methoxy-5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870594
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 78825031
(5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 46660052
N-(5-chloro-2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334804

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium (CID 2559930) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium is COc1ccc(C)cc1NC(=O)C[NH+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
The InChIKey is VOCVUHHXNJMIBO-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27ClN4O3/c1-16-7-12-21(31-2)20(13-16)26-22(30)14-29(19-5-3-4-6-19)15-23-27-28-24(32-23)17-8-10-18(25)11-9-17/h7-13,19H,3-6,14-15H2,1-2H3,(H,26,30)/p+1.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium has a molecular weight of 455.97 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 2559930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).