N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide

C19H15ClN6O3 — CID 171987803

IUPACN-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3nnn(-c4ccc(Cl)cc4)c3C)o2)cc1
InChIInChI=1S/C19H15ClN6O3/c1-11-16(22-25-26(11)14-7-5-13(20)6-8-14)18-23-24-19(29-18)21-17(27)12-3-9-15(28-2)10-4-12/h3-10H,1-2H3,(H,21,24,27)
InChIKeyMQAWAKFFFLNJIC-UHFFFAOYSA-N
MW410.82 g/mol
LogP3.54
Rot. Bonds5

About N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide

N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide (PubChem CID 171987803) has the molecular formula C19H15ClN6O3 and a molecular weight of 410.82 g/mol. Its IUPAC name is N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
PubChem CID171987803
Molecular FormulaC19H15ClN6O3
Molecular Weight410.82 g/mol
Exact Mass410.09
IUPAC NameN-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3nnn(-c4ccc(Cl)cc4)c3C)o2)cc1
InChIInChI=1S/C19H15ClN6O3/c1-11-16(22-25-26(11)14-7-5-13(20)6-8-14)18-23-24-19(29-18)21-17(27)12-3-9-15(28-2)10-4-12/h3-10H,1-2H3,(H,21,24,27)
InChIKeyMQAWAKFFFLNJIC-UHFFFAOYSA-N
XLogP3.54
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 171987800
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406
4-methoxy-N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]benzamide
CID 20941333
N-[3-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 20941225
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 7244014
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 43976407
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
CID 155302345
N-[3-[1-(3,5-dimethoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-3,5-dimethoxybenzamide
CID 20941308
N-[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-3,5-dimethoxybenzamide
CID 20941292
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 46107097

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide (CID 171987803) is N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nnc(-c3nnn(-c4ccc(Cl)cc4)c3C)o2)cc1.
What is the InChIKey of N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The InChIKey is MQAWAKFFFLNJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O3/c1-11-16(22-25-26(11)14-7-5-13(20)6-8-14)18-23-24-19(29-18)21-17(27)12-3-9-15(28-2)10-4-12/h3-10H,1-2H3,(H,21,24,27).
What are the key properties of N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide has a molecular weight of 410.82 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 171987803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).