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

C16H16ClN5O2 — CID 129351660

IUPAC2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1noc([C@@H]2CCN(Cc3nnc(-c4ccccc4Cl)o3)C2)n1
InChIInChI=1S/C16H16ClN5O2/c1-10-18-15(24-21-10)11-6-7-22(8-11)9-14-19-20-16(23-14)12-4-2-3-5-13(12)17/h2-5,11H,6-9H2,1H3/t11-/m1/s1
InChIKeyIONCYYDSMUVILQ-LLVKDONJSA-N
MW345.79 g/mol
LogP3.07
Rot. Bonds4

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

2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 129351660) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID129351660
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1noc([C@@H]2CCN(Cc3nnc(-c4ccccc4Cl)o3)C2)n1
InChIInChI=1S/C16H16ClN5O2/c1-10-18-15(24-21-10)11-6-7-22(8-11)9-14-19-20-16(23-14)12-4-2-3-5-13(12)17/h2-5,11H,6-9H2,1H3/t11-/m1/s1
InChIKeyIONCYYDSMUVILQ-LLVKDONJSA-N
XLogP3.07
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 129351660) is 2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1noc([C@@H]2CCN(Cc3nnc(-c4ccccc4Cl)o3)C2)n1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is IONCYYDSMUVILQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-10-18-15(24-21-10)11-6-7-22(8-11)9-14-19-20-16(23-14)12-4-2-3-5-13(12)17/h2-5,11H,6-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 345.79 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 129351660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).