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

C15H19N5O4 — CID 119191937

IUPAC2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1nc(-c2ncccn2)no1)C(=O)O
InChIInChI=1S/C15H19N5O4/c1-3-7-15(2,14(22)23)19-10(21)5-6-11-18-13(20-24-11)12-16-8-4-9-17-12/h4,8-9H,3,5-7H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyRIHGMDVEWBBOFI-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.22
Rot. Bonds8

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

2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid (PubChem CID 119191937) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
PubChem CID119191937
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1nc(-c2ncccn2)no1)C(=O)O
InChIInChI=1S/C15H19N5O4/c1-3-7-15(2,14(22)23)19-10(21)5-6-11-18-13(20-24-11)12-16-8-4-9-17-12/h4,8-9H,3,5-7H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyRIHGMDVEWBBOFI-UHFFFAOYSA-N
XLogP1.22
TPSA131.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119570648
methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate
CID 43431502
2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid
CID 119192005
(2S)-4-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119361509
(3S)-3-methyl-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 97337273
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
CID 120517076
2-[ethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119205870
4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119357384
(2R)-2-methyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 52511490
2-methyl-N-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60837590
2-[3-(3,5-dimethylphenyl)propanoylamino]-2-methylpentanoic acid
CID 120517074
2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid
CID 84588870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid (CID 119191937) is 2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid is CCCC(C)(NC(=O)CCc1nc(-c2ncccn2)no1)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
The InChIKey is RIHGMDVEWBBOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-3-7-15(2,14(22)23)19-10(21)5-6-11-18-13(20-24-11)12-16-8-4-9-17-12/h4,8-9H,3,5-7H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid has a molecular weight of 333.35 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 119191937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).