ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate

C23H25N3O5 — CID 126724288

IUPACethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate
SMILESCCOC(=O)[C@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1n[nH]c(=O)o1
InChIInChI=1S/C23H25N3O5/c1-3-30-22(28)15(2)13-19(24-20(27)21-25-26-23(29)31-21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3,(H,24,27)(H,26,29)/t15-,19?/m1/s1
InChIKeyJTUTYTTUWVFYFF-NYRJJRHWSA-N
MW423.47 g/mol
LogP2.96
Rot. Bonds9

About ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate

ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate (PubChem CID 126724288) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate
PubChem CID126724288
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Nameethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate
SMILESCCOC(=O)[C@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1n[nH]c(=O)o1
InChIInChI=1S/C23H25N3O5/c1-3-30-22(28)15(2)13-19(24-20(27)21-25-26-23(29)31-21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3,(H,24,27)(H,26,29)/t15-,19?/m1/s1
InChIKeyJTUTYTTUWVFYFF-NYRJJRHWSA-N
XLogP2.96
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl (2R,4S)-4-[(2-hydrazinyl-2-oxoacetyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoate;ethyl (2R,4S)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate
CID 158234655
ethyl (2R)-5-[4-(3-chlorophenyl)phenyl]-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]pentanoate
CID 126724204
ethyl (2R,4S)-2-methyl-4-[(2-oxo-3H-1,3-oxazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate
CID 59608259
ethyl (2R,4S)-4-benzamido-2-methyl-5-(4-phenylphenyl)pentanoate
CID 141281932
ethyl (2R,4S)-4-[(2-methoxy-1,3-oxazole-5-carbonyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoate
CID 59608133
ethyl (2R,4S)-4-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoate
CID 59608212
ethyl (2R)-2-methyl-4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]-5-(4-phenylphenyl)pentanoate
CID 137067586
ethyl (2R,4S)-2-methyl-4-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]-5-(4-phenylphenyl)pentanoate
CID 135973208
4-[[(2S,4S)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
CID 122172973
ethyl (2R,4S)-4-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoate
CID 59608216
ethyl (2R,4S)-4-(4,4-dihydroxybutanoylamino)-2-methyl-5-(4-phenylphenyl)pentanoate
CID 138720356
2,2,3,3-tetradeuterio-4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
CID 129010205

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate?
The IUPAC name of ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate (CID 126724288) is ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate.
What is the SMILES notation for ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate?
The canonical SMILES for ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate is CCOC(=O)[C@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1n[nH]c(=O)o1.
What is the InChIKey of ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate?
The InChIKey is JTUTYTTUWVFYFF-NYRJJRHWSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-3-30-22(28)15(2)13-19(24-20(27)21-25-26-23(29)31-21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3,(H,24,27)(H,26,29)/t15-,19?/m1/s1.
What are the key properties of ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate?
ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate has a molecular weight of 423.47 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate is sourced from PubChem (CID 126724288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).