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

C20H21N5O4 — CID 120546713

IUPAC5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CCc1nc(-c2ncccn2)no1
InChIInChI=1S/C20H21N5O4/c26-16(8-9-17-24-20(25-29-17)19-21-11-4-12-22-19)23-15(7-10-18(27)28)13-14-5-2-1-3-6-14/h1-6,11-12,15H,7-10,13H2,(H,23,26)(H,27,28)
InChIKeyXHFQGTZCEHQSLY-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.05
Rot. Bonds10

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

5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid (PubChem CID 120546713) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
PubChem CID120546713
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CCc1nc(-c2ncccn2)no1
InChIInChI=1S/C20H21N5O4/c26-16(8-9-17-24-20(25-29-17)19-21-11-4-12-22-19)23-15(7-10-18(27)28)13-14-5-2-1-3-6-14/h1-6,11-12,15H,7-10,13H2,(H,23,26)(H,27,28)
InChIKeyXHFQGTZCEHQSLY-UHFFFAOYSA-N
XLogP2.05
TPSA131.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
(2S)-4-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119361509
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-[3-(5-chlorothiophen-2-yl)propanoylamino]-5-phenylpentanoic acid
CID 120546600
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
4-[3-(4-chlorothiophen-2-yl)propanoylamino]-5-phenylpentanoic acid
CID 120546620
4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001050
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid
CID 119201031
(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 159786241
N-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 97081589

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid (CID 120546713) is 5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)CCc1nc(-c2ncccn2)no1.
What is the InChIKey of 5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
The InChIKey is XHFQGTZCEHQSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c26-16(8-9-17-24-20(25-29-17)19-21-11-4-12-22-19)23-15(7-10-18(27)28)13-14-5-2-1-3-6-14/h1-6,11-12,15H,7-10,13H2,(H,23,26)(H,27,28).
What are the key properties of 5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid?
5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid has a molecular weight of 395.42 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 120546713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).