N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide

C23H23ClN6O3 — CID 55670903

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1nnn(-c2cccc(OC)c2)c1C
InChIInChI=1S/C23H23ClN6O3/c1-4-12-29(14-20-25-27-22(33-20)18-10-5-6-11-19(18)24)23(31)21-15(2)30(28-26-21)16-8-7-9-17(13-16)32-3/h5-11,13H,4,12,14H2,1-3H3
InChIKeyFBFGEUIQBGZGLK-UHFFFAOYSA-N
MW466.93 g/mol
LogP4.34
Rot. Bonds8

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide (PubChem CID 55670903) has the molecular formula C23H23ClN6O3 and a molecular weight of 466.93 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide
PubChem CID55670903
Molecular FormulaC23H23ClN6O3
Molecular Weight466.93 g/mol
Exact Mass466.15
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1nnn(-c2cccc(OC)c2)c1C
InChIInChI=1S/C23H23ClN6O3/c1-4-12-29(14-20-25-27-22(33-20)18-10-5-6-11-19(18)24)23(31)21-15(2)30(28-26-21)16-8-7-9-17(13-16)32-3/h5-11,13H,4,12,14H2,1-3H3
InChIKeyFBFGEUIQBGZGLK-UHFFFAOYSA-N
XLogP4.34
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide (CID 55670903) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1nnn(-c2cccc(OC)c2)c1C.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide?
The InChIKey is FBFGEUIQBGZGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3/c1-4-12-29(14-20-25-27-22(33-20)18-10-5-6-11-19(18)24)23(31)21-15(2)30(28-26-21)16-8-7-9-17(13-16)32-3/h5-11,13H,4,12,14H2,1-3H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide has a molecular weight of 466.93 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide is sourced from PubChem (CID 55670903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).