[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate

C15H14BrFN2O5 — CID 8737806

IUPAC[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
SMILESCc1cc(NC(=O)[C@H](C)OC(=O)COc2ccc(F)cc2Br)no1
InChIInChI=1S/C15H14BrFN2O5/c1-8-5-13(19-24-8)18-15(21)9(2)23-14(20)7-22-12-4-3-10(17)6-11(12)16/h3-6,9H,7H2,1-2H3,(H,18,19,21)/t9-/m0/s1
InChIKeyHFCRQEAKXDIJNQ-VIFPVBQESA-N
MW401.19 g/mol
LogP2.83
Rot. Bonds6

About [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate (PubChem CID 8737806) has the molecular formula C15H14BrFN2O5 and a molecular weight of 401.19 g/mol. Its IUPAC name is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
PubChem CID8737806
Molecular FormulaC15H14BrFN2O5
Molecular Weight401.19 g/mol
Exact Mass400.01
IUPAC Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
SMILESCc1cc(NC(=O)[C@H](C)OC(=O)COc2ccc(F)cc2Br)no1
InChIInChI=1S/C15H14BrFN2O5/c1-8-5-13(19-24-8)18-15(21)9(2)23-14(20)7-22-12-4-3-10(17)6-11(12)16/h3-6,9H,7H2,1-2H3,(H,18,19,21)/t9-/m0/s1
InChIKeyHFCRQEAKXDIJNQ-VIFPVBQESA-N
XLogP2.83
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate with MolForge

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Related Compounds

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
CID 30489995
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
CID 30489992
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525763
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525758
(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40972075
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 46672181
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 40607845
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8617258
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525769
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 8577668
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 30925313
methyl 3-bromo-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
CID 36533845

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate?
The IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate (CID 8737806) is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate.
What is the SMILES notation for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate?
The canonical SMILES for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate is Cc1cc(NC(=O)[C@H](C)OC(=O)COc2ccc(F)cc2Br)no1.
What is the InChIKey of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate?
The InChIKey is HFCRQEAKXDIJNQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14BrFN2O5/c1-8-5-13(19-24-8)18-15(21)9(2)23-14(20)7-22-12-4-3-10(17)6-11(12)16/h3-6,9H,7H2,1-2H3,(H,18,19,21)/t9-/m0/s1.
What are the key properties of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate?
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate has a molecular weight of 401.19 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate is sourced from PubChem (CID 8737806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).