5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid

C15H17N3O4S — CID 122110561

IUPAC5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
SMILESO=C(CCCc1nc(C2CC2)no1)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C15H17N3O4S/c19-12(16-8-10-6-7-11(23-10)15(20)21)2-1-3-13-17-14(18-22-13)9-4-5-9/h6-7,9H,1-5,8H2,(H,16,19)(H,20,21)
InChIKeyLBCLLRXJDOWKOG-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.35
Rot. Bonds8

About 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid

5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110561) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
PubChem CID122110561
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
SMILESO=C(CCCc1nc(C2CC2)no1)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C15H17N3O4S/c19-12(16-8-10-6-7-11(23-10)15(20)21)2-1-3-13-17-14(18-22-13)9-4-5-9/h6-7,9H,1-5,8H2,(H,16,19)(H,20,21)
InChIKeyLBCLLRXJDOWKOG-UHFFFAOYSA-N
XLogP2.35
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444
2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid
CID 119246497
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 90649458
2-chloro-4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoic acid
CID 119178934
5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
CID 120690778
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]butanamide
CID 99846634
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 110004468
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 55891990
N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119522706

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid (CID 122110561) is 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid is O=C(CCCc1nc(C2CC2)no1)NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is LBCLLRXJDOWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-12(16-8-10-6-7-11(23-10)15(20)21)2-1-3-13-17-14(18-22-13)9-4-5-9/h6-7,9H,1-5,8H2,(H,16,19)(H,20,21).
What are the key properties of 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid?
5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 335.39 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).