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

C18H17N3O5 — CID 120690778

IUPAC5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
SMILESO=C(CCCc1nc(C2CC2)no1)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C18H17N3O5/c22-15(2-1-3-16-20-17(21-26-16)10-4-5-10)19-12-6-7-13-11(8-12)9-14(25-13)18(23)24/h6-10H,1-5H2,(H,19,22)(H,23,24)
InChIKeyJMMQWRHJNRHIAT-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.35
Rot. Bonds7

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

5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid (PubChem CID 120690778) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
PubChem CID120690778
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
SMILESO=C(CCCc1nc(C2CC2)no1)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C18H17N3O5/c22-15(2-1-3-16-20-17(21-26-16)10-4-5-10)19-12-6-7-13-11(8-12)9-14(25-13)18(23)24/h6-10H,1-5H2,(H,19,22)(H,23,24)
InChIKeyJMMQWRHJNRHIAT-UHFFFAOYSA-N
XLogP3.35
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoic acid
CID 119178934
N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119419525
2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid
CID 119224703
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785
2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696739
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258
5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690885
5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110561
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid (CID 120690778) is 5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid is O=C(CCCc1nc(C2CC2)no1)Nc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid?
The InChIKey is JMMQWRHJNRHIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c22-15(2-1-3-16-20-17(21-26-16)10-4-5-10)19-12-6-7-13-11(8-12)9-14(25-13)18(23)24/h6-10H,1-5H2,(H,19,22)(H,23,24).
What are the key properties of 5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid?
5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid has a molecular weight of 355.35 g/mol, XLogP of 3.35, 7 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]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).