1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid

C17H20N4O4 — CID 122086313

IUPAC1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCc1noc(-c2ccc(C)c(NC(=O)N3CCC(C(=O)O)C3)c2)n1
InChIInChI=1S/C17H20N4O4/c1-3-14-19-15(25-20-14)11-5-4-10(2)13(8-11)18-17(24)21-7-6-12(9-21)16(22)23/h4-5,8,12H,3,6-7,9H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyADVUOVLVCSTKTD-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.55
Rot. Bonds4

About 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122086313) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122086313
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCc1noc(-c2ccc(C)c(NC(=O)N3CCC(C(=O)O)C3)c2)n1
InChIInChI=1S/C17H20N4O4/c1-3-14-19-15(25-20-14)11-5-4-10(2)13(8-11)18-17(24)21-7-6-12(9-21)16(22)23/h4-5,8,12H,3,6-7,9H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyADVUOVLVCSTKTD-UHFFFAOYSA-N
XLogP2.55
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3aS,6aR)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122086319
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122092567
3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 119815832
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119815839
1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea
CID 126789590
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926780
1-[(5-methoxycarbonyl-2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074107
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092570
(3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936708
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119815843
(8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 125157739
3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide
CID 120611694

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122086313) is 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid is CCc1noc(-c2ccc(C)c(NC(=O)N3CCC(C(=O)O)C3)c2)n1.
What is the InChIKey of 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ADVUOVLVCSTKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-3-14-19-15(25-20-14)11-5-4-10(2)13(8-11)18-17(24)21-7-6-12(9-21)16(22)23/h4-5,8,12H,3,6-7,9H2,1-2H3,(H,18,24)(H,22,23).
What are the key properties of 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122086313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).