[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate

C18H14BrN3O4 — CID 17485995

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)OCC(=O)Nc1ccon1
InChIInChI=1S/C18H14BrN3O4/c1-11-14(5-6-15(20-11)12-3-2-4-13(19)9-12)18(24)25-10-17(23)21-16-7-8-26-22-16/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyNSPULLMMZICVSH-UHFFFAOYSA-N
MW416.23 g/mol
LogP3.60
Rot. Bonds5

About [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate (PubChem CID 17485995) has the molecular formula C18H14BrN3O4 and a molecular weight of 416.23 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate
PubChem CID17485995
Molecular FormulaC18H14BrN3O4
Molecular Weight416.23 g/mol
Exact Mass415.02
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)OCC(=O)Nc1ccon1
InChIInChI=1S/C18H14BrN3O4/c1-11-14(5-6-15(20-11)12-3-2-4-13(19)9-12)18(24)25-10-17(23)21-16-7-8-26-22-16/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyNSPULLMMZICVSH-UHFFFAOYSA-N
XLogP3.60
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 38530845
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55462780
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate
CID 27726660
2-[4-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300685
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16593967
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
CID 134280333
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate (CID 17485995) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)OCC(=O)Nc1ccon1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate?
The InChIKey is NSPULLMMZICVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O4/c1-11-14(5-6-15(20-11)12-3-2-4-13(19)9-12)18(24)25-10-17(23)21-16-7-8-26-22-16/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate has a molecular weight of 416.23 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 17485995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).