[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate

C20H17N3O4 — CID 55739686

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate
SMILESCc1cc(NC(=O)C(OC(=O)C=Cc2ccccn2)c2ccccc2)no1
InChIInChI=1S/C20H17N3O4/c1-14-13-17(23-27-14)22-20(25)19(15-7-3-2-4-8-15)26-18(24)11-10-16-9-5-6-12-21-16/h2-13,19H,1H3,(H,22,23,25)
InChIKeyWWYMFXIEWPCOSV-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.31
Rot. Bonds6

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate (PubChem CID 55739686) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate
PubChem CID55739686
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate
SMILESCc1cc(NC(=O)C(OC(=O)C=Cc2ccccn2)c2ccccc2)no1
InChIInChI=1S/C20H17N3O4/c1-14-13-17(23-27-14)22-20(25)19(15-7-3-2-4-8-15)26-18(24)11-10-16-9-5-6-12-21-16/h2-13,19H,1H3,(H,22,23,25)
InChIKeyWWYMFXIEWPCOSV-UHFFFAOYSA-N
XLogP3.31
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55702175
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 40798708
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 17437026
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18151710
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate
CID 46645148
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (E)-3-phenylprop-2-enoate
CID 46683493
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-difluorobenzoate
CID 46644893
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-iodobenzoate
CID 46644590
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-fluorobenzoate
CID 17415012
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
CID 46644601
propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate
CID 11148208
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate
CID 55450290

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate (CID 55739686) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate is Cc1cc(NC(=O)C(OC(=O)C=Cc2ccccn2)c2ccccc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate?
The InChIKey is WWYMFXIEWPCOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-14-13-17(23-27-14)22-20(25)19(15-7-3-2-4-8-15)26-18(24)11-10-16-9-5-6-12-21-16/h2-13,19H,1H3,(H,22,23,25).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate has a molecular weight of 363.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 55739686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).