(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate

C20H19N3O4 — CID 31048252

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate
SMILESCc1noc(COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)n1
InChIInChI=1S/C20H19N3O4/c1-14-21-18(27-23-14)13-26-20(25)17(12-15-8-4-2-5-9-15)22-19(24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyJBHLLWCDSHLZKE-QGZVFWFLSA-N
MW365.39 g/mol
LogP2.46
Rot. Bonds7

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate (PubChem CID 31048252) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate
PubChem CID31048252
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate
SMILESCc1noc(COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)n1
InChIInChI=1S/C20H19N3O4/c1-14-21-18(27-23-14)13-26-20(25)17(12-15-8-4-2-5-9-15)22-19(24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyJBHLLWCDSHLZKE-QGZVFWFLSA-N
XLogP2.46
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 55941958
N-[(2R)-1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]benzamide
CID 9227321
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-benzamido-3-phenylpropanoate
CID 55458665
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-phenylpropanoic acid
CID 119165693
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
hexyl 2-benzamido-3-phenylpropanoate
CID 569464
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 16596743
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57403592

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate (CID 31048252) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate is Cc1noc(COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate?
The InChIKey is JBHLLWCDSHLZKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-14-21-18(27-23-14)13-26-20(25)17(12-15-8-4-2-5-9-15)22-19(24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate has a molecular weight of 365.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 31048252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).