4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid

C20H19N3O5 — CID 136647596

IUPAC4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(O)CCC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C20H19N3O5/c24-17(25)11-10-16(21-19(26)18-22-20(27)28-23-18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,26)(H,24,25)(H,22,23,27)
InChIKeyZILXBTOLQASEAE-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.24
Rot. Bonds8

About 4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid

4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid (PubChem CID 136647596) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
PubChem CID136647596
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(O)CCC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C20H19N3O5/c24-17(25)11-10-16(21-19(26)18-22-20(27)28-23-18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,26)(H,24,25)(H,22,23,27)
InChIKeyZILXBTOLQASEAE-UHFFFAOYSA-N
XLogP2.24
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid
CID 135973139
5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid
CID 19427743
(2R,4S)-2-methyl-4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
CID 135973209
4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547237
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
(2R,4S)-4-(1H-imidazole-2-carbonylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 59608323
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 59608109
5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
CID 120547120
4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547288
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid (CID 136647596) is 4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid is O=C(O)CCC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1noc(=O)[nH]1.
What is the InChIKey of 4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is ZILXBTOLQASEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c24-17(25)11-10-16(21-19(26)18-22-20(27)28-23-18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,26)(H,24,25)(H,22,23,27).
What are the key properties of 4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid?
4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 381.39 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 136647596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).