1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C18H19FN4O4 — CID 122086081

IUPAC1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)C1
InChIInChI=1S/C18H19FN4O4/c1-18(16(24)25)6-7-23(9-18)17(26)20-13-5-4-11(19)8-12(13)15-21-14(22-27-15)10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,20,26)(H,24,25)
InChIKeyOAGJMLBZSCCGFC-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.08
Rot. Bonds4

About 1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122086081) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122086081
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)C1
InChIInChI=1S/C18H19FN4O4/c1-18(16(24)25)6-7-23(9-18)17(26)20-13-5-4-11(19)8-12(13)15-21-14(22-27-15)10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,20,26)(H,24,25)
InChIKeyOAGJMLBZSCCGFC-UHFFFAOYSA-N
XLogP3.08
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide
CID 75505135
1-[(4-fluoro-2-iodophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 79767001
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 107530206
1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889
3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111566411
1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122094283
1-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079701
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea
CID 71865767
1-[[5-fluoro-2-(2-methoxyethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079006
1-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075342
1-[(2-bromo-3,5-difluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091025
1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122092161

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122086081) is 1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)C1.
What is the InChIKey of 1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is OAGJMLBZSCCGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c1-18(16(24)25)6-7-23(9-18)17(26)20-13-5-4-11(19)8-12(13)15-21-14(22-27-15)10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122086081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).