[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate

C19H17N3O4 — CID 18151710

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OC(C(=O)Nc2cc(C)on2)c2ccccc2)cn1
InChIInChI=1S/C19H17N3O4/c1-12-8-9-15(11-20-12)19(24)25-17(14-6-4-3-5-7-14)18(23)21-16-10-13(2)26-22-16/h3-11,17H,1-2H3,(H,21,22,23)
InChIKeyIPBADWGUJBNTRQ-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.22
Rot. Bonds5

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate (PubChem CID 18151710) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
PubChem CID18151710
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OC(C(=O)Nc2cc(C)on2)c2ccccc2)cn1
InChIInChI=1S/C19H17N3O4/c1-12-8-9-15(11-20-12)19(24)25-17(14-6-4-3-5-7-14)18(23)21-16-10-13(2)26-22-16/h3-11,17H,1-2H3,(H,21,22,23)
InChIKeyIPBADWGUJBNTRQ-UHFFFAOYSA-N
XLogP3.22
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate with MolForge

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Related Compounds

[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] 4-iodobenzoate
CID 46644590
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate
CID 46645148
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-difluorobenzoate
CID 46644893
[(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-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
CID 46644601
(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate
CID 46552586
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate
CID 24527471
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27323769
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 43042716

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate (CID 18151710) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate is Cc1ccc(C(=O)OC(C(=O)Nc2cc(C)on2)c2ccccc2)cn1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is IPBADWGUJBNTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-8-9-15(11-20-12)19(24)25-17(14-6-4-3-5-7-14)18(23)21-16-10-13(2)26-22-16/h3-11,17H,1-2H3,(H,21,22,23).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.22, 5 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] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 18151710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).