4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid

C17H21N3O4 — CID 119253201

IUPAC4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid
SMILESCc1noc(-c2ccccc2C(=O)NCC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C17H21N3O4/c1-10(2)8-12(17(22)23)9-18-15(21)13-6-4-5-7-14(13)16-19-11(3)20-24-16/h4-7,10,12H,8-9H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyKDFOXXRMILWTEJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.52
Rot. Bonds7

About 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid

4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid (PubChem CID 119253201) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid
PubChem CID119253201
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid
SMILESCc1noc(-c2ccccc2C(=O)NCC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C17H21N3O4/c1-10(2)8-12(17(22)23)9-18-15(21)13-6-4-5-7-14(13)16-19-11(3)20-24-16/h4-7,10,12H,8-9H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyKDFOXXRMILWTEJ-UHFFFAOYSA-N
XLogP2.52
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
CID 119364440
N-[2-(methylamino)propyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120827644
N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119497807
N-[2-(ethylamino)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119507620
2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 122108013
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 126774730
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 167847486
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120947540
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730
2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253441
N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119590942
N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3348278

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid (CID 119253201) is 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid is Cc1noc(-c2ccccc2C(=O)NCC(CC(C)C)C(=O)O)n1.
What is the InChIKey of 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid?
The InChIKey is KDFOXXRMILWTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10(2)8-12(17(22)23)9-18-15(21)13-6-4-5-7-14(13)16-19-11(3)20-24-16/h4-7,10,12H,8-9H2,1-3H3,(H,18,21)(H,22,23).
What are the key properties of 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid has a molecular weight of 331.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 119253201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).