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

C19H17N3O5 — CID 135973139

IUPAC(3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid
SMILESO=C(O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C19H17N3O5/c23-16(24)11-15(20-18(25)17-21-19(26)27-22-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,20,25)(H,23,24)(H,21,22,26)/t15-/m1/s1
InChIKeyHQHSMOFMBHCTPI-OAHLLOKOSA-N
MW367.36 g/mol
LogP1.85
Rot. Bonds7

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

(3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid (PubChem CID 135973139) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is (3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid
PubChem CID135973139
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name(3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid
SMILESO=C(O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C19H17N3O5/c23-16(24)11-15(20-18(25)17-21-19(26)27-22-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,20,25)(H,23,24)(H,21,22,26)/t15-/m1/s1
InChIKeyHQHSMOFMBHCTPI-OAHLLOKOSA-N
XLogP1.85
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid with MolForge

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Related Compounds

4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
CID 136647596
(3R)-3-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid
CID 59607626
(2R,4S)-2-methyl-4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
CID 135973209
(3R)-4-(4-phenylphenyl)-3-(pyrimidine-4-carbonylamino)butanoic acid
CID 59607731
4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid
CID 90334439
(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
ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate
CID 126724288
ethyl (2R,4S)-2-methyl-4-[(2-oxo-3H-1,3-oxazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate
CID 59608259
3-[[5-(carboxymethyl)furan-2-carbonyl]amino]-4-[4-(3-chlorophenyl)phenyl]butanoic acid
CID 67208755
(2R,4S)-4-[(4-carbamoyl-2-oxo-1H-pyrimidine-6-carbonyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 59608241
(2R)-2-methyl-5-(4-phenylphenyl)-4-(pyrimidine-5-carbonylamino)pentanoic acid
CID 126724309

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid?
The IUPAC name of (3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid (CID 135973139) is (3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for (3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid?
The canonical SMILES for (3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid is O=C(O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1noc(=O)[nH]1.
What is the InChIKey of (3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid?
The InChIKey is HQHSMOFMBHCTPI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17N3O5/c23-16(24)11-15(20-18(25)17-21-19(26)27-22-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,20,25)(H,23,24)(H,21,22,26)/t15-/m1/s1.
What are the key properties of (3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid?
(3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid has a molecular weight of 367.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-4-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 135973139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).