4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C17H19N3O4 — CID 120674434

IUPAC4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2cccc(NC(=O)C3CCC(C(=O)O)CC3)c2)no1
InChIInChI=1S/C17H19N3O4/c1-10-18-15(20-24-10)13-3-2-4-14(9-13)19-16(21)11-5-7-12(8-6-11)17(22)23/h2-4,9,11-12H,5-8H2,1H3,(H,19,21)(H,22,23)
InChIKeyIJTQKQZGXPBQGL-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.87
Rot. Bonds4

About 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674434) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674434
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2cccc(NC(=O)C3CCC(C(=O)O)CC3)c2)no1
InChIInChI=1S/C17H19N3O4/c1-10-18-15(20-24-10)13-3-2-4-14(9-13)19-16(21)11-5-7-12(8-6-11)17(22)23/h2-4,9,11-12H,5-8H2,1H3,(H,19,21)(H,22,23)
InChIKeyIJTQKQZGXPBQGL-UHFFFAOYSA-N
XLogP2.87
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 46365849
(2S,5R)-5-(aminomethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]oxolane-2-carboxamide
CID 120789046
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46292736
(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746342
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71856405
N-[3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide
CID 154862591
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119741040
4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 111424867

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120674434) is 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1nc(-c2cccc(NC(=O)C3CCC(C(=O)O)CC3)c2)no1.
What is the InChIKey of 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is IJTQKQZGXPBQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10-18-15(20-24-10)13-3-2-4-14(9-13)19-16(21)11-5-7-12(8-6-11)17(22)23/h2-4,9,11-12H,5-8H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).