1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C17H19FN4O3 — CID 86785456

IUPAC1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1noc(CCNC(=O)C2CC(=O)N(c3ccc(F)c(C)c3)C2)n1
InChIInChI=1S/C17H19FN4O3/c1-10-7-13(3-4-14(10)18)22-9-12(8-16(22)23)17(24)19-6-5-15-20-11(2)21-25-15/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,24)
InChIKeySDGBQALCBXARKE-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.54
Rot. Bonds5

About 1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 86785456) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID86785456
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1noc(CCNC(=O)C2CC(=O)N(c3ccc(F)c(C)c3)C2)n1
InChIInChI=1S/C17H19FN4O3/c1-10-7-13(3-4-14(10)18)22-9-12(8-16(22)23)17(24)19-6-5-15-20-11(2)21-25-15/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,24)
InChIKeySDGBQALCBXARKE-UHFFFAOYSA-N
XLogP1.54
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 56803324
1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021375
1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021602
1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 110021472
1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 110022001
4-[[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542007
methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate
CID 36773852
1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42939893
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635
2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513243
(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 95147317
1-(3,4-dimethylphenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866705

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 86785456) is 1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1noc(CCNC(=O)C2CC(=O)N(c3ccc(F)c(C)c3)C2)n1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SDGBQALCBXARKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-10-7-13(3-4-14(10)18)22-9-12(8-16(22)23)17(24)19-6-5-15-20-11(2)21-25-15/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,24).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86785456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).