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

C16H20N4O4 — CID 119357384

IUPAC4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C16H20N4O4/c1-16(2,8-5-14(22)23)19-12(21)3-4-13-18-15(20-24-13)11-6-9-17-10-7-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyQDJFPHJYCNERID-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.82
Rot. Bonds8

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

4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid (PubChem CID 119357384) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
PubChem CID119357384
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C16H20N4O4/c1-16(2,8-5-14(22)23)19-12(21)3-4-13-18-15(20-24-13)11-6-9-17-10-7-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyQDJFPHJYCNERID-UHFFFAOYSA-N
XLogP1.82
TPSA118.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30238639
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119573306
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119598258
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
N-methylsulfonyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 146154109
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30292521
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196
N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47080751
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17101587

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid (CID 119357384) is 4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)CCc1nc(-c2ccncc2)no1.
What is the InChIKey of 4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
The InChIKey is QDJFPHJYCNERID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-16(2,8-5-14(22)23)19-12(21)3-4-13-18-15(20-24-13)11-6-9-17-10-7-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid has a molecular weight of 332.36 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 119357384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).