N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide

C20H20ClN3O3 — CID 1299465

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccccc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C
InChIInChI=1S/C20H20ClN3O3/c1-13(2)24(20(25)16-6-4-5-7-17(16)26-3)12-18-22-19(23-27-18)14-8-10-15(21)11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyKFBYWQCGEDKJBK-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.45
Rot. Bonds6

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 1299465) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
PubChem CID1299465
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccccc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C
InChIInChI=1S/C20H20ClN3O3/c1-13(2)24(20(25)16-6-4-5-7-17(16)26-3)12-18-22-19(23-27-18)14-8-10-15(21)11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyKFBYWQCGEDKJBK-UHFFFAOYSA-N
XLogP4.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide (CID 1299465) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide is COc1ccccc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is KFBYWQCGEDKJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13(2)24(20(25)16-6-4-5-7-17(16)26-3)12-18-22-19(23-27-18)14-8-10-15(21)11-9-14/h4-11,13H,12H2,1-3H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 385.85 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 1299465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).