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

C15H18ClN3O2 — CID 129346756

IUPAC5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)c(CN2CC[C@@H](c3nc(C)no3)C2)c1
InChIInChI=1S/C15H18ClN3O2/c1-10-17-15(21-18-10)11-5-6-19(8-11)9-12-7-13(20-2)3-4-14(12)16/h3-4,7,11H,5-6,8-9H2,1-2H3/t11-/m1/s1
InChIKeyBQKSBXIRBNTQPT-LLVKDONJSA-N
MW307.78 g/mol
LogP3.03
Rot. Bonds4

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

5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129346756) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129346756
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)c(CN2CC[C@@H](c3nc(C)no3)C2)c1
InChIInChI=1S/C15H18ClN3O2/c1-10-17-15(21-18-10)11-5-6-19(8-11)9-12-7-13(20-2)3-4-14(12)16/h3-4,7,11H,5-6,8-9H2,1-2H3/t11-/m1/s1
InChIKeyBQKSBXIRBNTQPT-LLVKDONJSA-N
XLogP3.03
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462107
(3S)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966557
5-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 95830030
5-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128971167
(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346800
5-[(3R)-1-[(2-bromo-3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97009022
5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60525893
5-[(3R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346768
N-[[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 120966398
5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128986563

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 129346756) is 5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is COc1ccc(Cl)c(CN2CC[C@@H](c3nc(C)no3)C2)c1.
What is the InChIKey of 5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is BQKSBXIRBNTQPT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10-17-15(21-18-10)11-5-6-19(8-11)9-12-7-13(20-2)3-4-14(12)16/h3-4,7,11H,5-6,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 307.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129346756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).