4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid

C15H17N3O4 — CID 119357421

IUPAC4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C15H17N3O4/c1-15(2,8-7-12(19)20)17-14(21)11-5-3-10(4-6-11)13-16-9-22-18-13/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyRQOQEIYUHHXOBE-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.11
Rot. Bonds6

About 4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid

4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid (PubChem CID 119357421) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid
PubChem CID119357421
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C15H17N3O4/c1-15(2,8-7-12(19)20)17-14(21)11-5-3-10(4-6-11)13-16-9-22-18-13/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyRQOQEIYUHHXOBE-UHFFFAOYSA-N
XLogP2.11
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid (CID 119357421) is 4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc(-c2ncon2)cc1.
What is the InChIKey of 4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid?
The InChIKey is RQOQEIYUHHXOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-15(2,8-7-12(19)20)17-14(21)11-5-3-10(4-6-11)13-16-9-22-18-13/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid?
4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid has a molecular weight of 303.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119357421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).