(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C15H16FN3O3 — CID 129346800

IUPAC(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@H](c3nc(C)no3)C2)c(F)c1
InChIInChI=1S/C15H16FN3O3/c1-9-17-14(22-18-9)10-5-6-19(8-10)15(20)12-4-3-11(21-2)7-13(12)16/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyPZMAIJKTJPDFNE-JTQLQIEISA-N
MW305.31 g/mol
LogP2.16
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 129346800) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID129346800
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@H](c3nc(C)no3)C2)c(F)c1
InChIInChI=1S/C15H16FN3O3/c1-9-17-14(22-18-9)10-5-6-19(8-10)15(20)12-4-3-11(21-2)7-13(12)16/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyPZMAIJKTJPDFNE-JTQLQIEISA-N
XLogP2.16
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 118792643
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125165768
(3-methoxy-4-methylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346818
(3-methoxy-4-methylphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346819
[2-(methoxymethyl)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346773
(2-chloro-4,5-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129491670
(7-fluoroquinoxalin-6-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 125139632
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128988584
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
[2-(2-methoxyethoxy)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129351811
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 128990313
(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103807097

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 129346800) is (2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CC[C@H](c3nc(C)no3)C2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PZMAIJKTJPDFNE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-9-17-14(22-18-9)10-5-6-19(8-10)15(20)12-4-3-11(21-2)7-13(12)16/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 305.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129346800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).