propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate

C23H25N3O5 — CID 55494116

IUPACpropan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
SMILESCc1nc(COc2ccc(C(=O)NC(CC(=O)OC(C)C)c3ccccc3)cc2)no1
InChIInChI=1S/C23H25N3O5/c1-15(2)30-22(27)13-20(17-7-5-4-6-8-17)25-23(28)18-9-11-19(12-10-18)29-14-21-24-16(3)31-26-21/h4-12,15,20H,13-14H2,1-3H3,(H,25,28)
InChIKeyWLMSTZQTWOHFJQ-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.77
Rot. Bonds9

About propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate

propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate (PubChem CID 55494116) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
PubChem CID55494116
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Namepropan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
SMILESCc1nc(COc2ccc(C(=O)NC(CC(=O)OC(C)C)c3ccccc3)cc2)no1
InChIInChI=1S/C23H25N3O5/c1-15(2)30-22(27)13-20(17-7-5-4-6-8-17)25-23(28)18-9-11-19(12-10-18)29-14-21-24-16(3)31-26-21/h4-12,15,20H,13-14H2,1-3H3,(H,25,28)
InChIKeyWLMSTZQTWOHFJQ-UHFFFAOYSA-N
XLogP3.77
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46457447
N-[(2S)-3-methylbutan-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 25362920
N-[(1S)-1-cyclopropylethyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 32893352
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 38476918
propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
CID 56545987
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
CID 55473566
propan-2-yl 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenylpropanoate
CID 46686826
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide
CID 119780074
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate (CID 55494116) is propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate is Cc1nc(COc2ccc(C(=O)NC(CC(=O)OC(C)C)c3ccccc3)cc2)no1.
What is the InChIKey of propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate?
The InChIKey is WLMSTZQTWOHFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15(2)30-22(27)13-20(17-7-5-4-6-8-17)25-23(28)18-9-11-19(12-10-18)29-14-21-24-16(3)31-26-21/h4-12,15,20H,13-14H2,1-3H3,(H,25,28).
What are the key properties of propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate?
propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate has a molecular weight of 423.47 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 55494116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).