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

C24H23ClN4O4 — CID 1259392

IUPAC3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2noc(CN(C(=O)c3c(-c4ccccc4Cl)noc3C)C(C)C)n2)cc1
InChIInChI=1S/C24H23ClN4O4/c1-14(2)29(13-20-26-23(28-33-20)16-9-11-17(31-4)12-10-16)24(30)21-15(3)32-27-22(21)18-7-5-6-8-19(18)25/h5-12,14H,13H2,1-4H3
InChIKeyUJLOUEOGBBPIRQ-UHFFFAOYSA-N
MW466.93 g/mol
LogP5.41
Rot. Bonds7

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

3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 1259392) has the molecular formula C24H23ClN4O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID1259392
Molecular FormulaC24H23ClN4O4
Molecular Weight466.93 g/mol
Exact Mass466.14
IUPAC Name3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2noc(CN(C(=O)c3c(-c4ccccc4Cl)noc3C)C(C)C)n2)cc1
InChIInChI=1S/C24H23ClN4O4/c1-14(2)29(13-20-26-23(28-33-20)16-9-11-17(31-4)12-10-16)24(30)21-15(3)32-27-22(21)18-7-5-6-8-19(18)25/h5-12,14H,13H2,1-4H3
InChIKeyUJLOUEOGBBPIRQ-UHFFFAOYSA-N
XLogP5.41
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.93
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide (CID 1259392) is 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide is COc1ccc(-c2noc(CN(C(=O)c3c(-c4ccccc4Cl)noc3C)C(C)C)n2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is UJLOUEOGBBPIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4/c1-14(2)29(13-20-26-23(28-33-20)16-9-11-17(31-4)12-10-16)24(30)21-15(3)32-27-22(21)18-7-5-6-8-19(18)25/h5-12,14H,13H2,1-4H3.
What are the key properties of 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 466.93 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1259392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).