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

C19H15ClN4O3 — CID 53153717

IUPAC2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1
InChIInChI=1S/C19H15ClN4O3/c1-25-15-8-2-12(3-9-15)10-16-21-17(27-24-16)11-18-22-23-19(26-18)13-4-6-14(20)7-5-13/h2-9H,10-11H2,1H3
InChIKeyDLIDVMPKOOPGSH-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.96
Rot. Bonds6

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

2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole (PubChem CID 53153717) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
PubChem CID53153717
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1
InChIInChI=1S/C19H15ClN4O3/c1-25-15-8-2-12(3-9-15)10-16-21-17(27-24-16)11-18-22-23-19(26-18)13-4-6-14(20)7-5-13/h2-9H,10-11H2,1H3
InChIKeyDLIDVMPKOOPGSH-UHFFFAOYSA-N
XLogP3.96
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153514
5-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888655
2-(4-chlorophenyl)-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 27920170
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118
2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153547
2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153712
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(6-methoxynaphthalen-2-yl)-N-methylmethanamine
CID 46615095
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61375130
2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 855861
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
N-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 55446419

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole (CID 53153717) is 2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole is COc1ccc(Cc2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is DLIDVMPKOOPGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-25-15-8-2-12(3-9-15)10-16-21-17(27-24-16)11-18-22-23-19(26-18)13-4-6-14(20)7-5-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 382.81 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53153717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).