(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C15H15BrN2O5 — CID 8555603

IUPAC(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1cc(Br)c(C=O)cc1O[C@@H](C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H15BrN2O5/c1-8-4-14(18-23-8)17-15(20)9(2)22-13-5-10(7-19)11(16)6-12(13)21-3/h4-7,9H,1-3H3,(H,17,18,20)/t9-/m0/s1
InChIKeyVXBMCAXTQLUTCI-VIFPVBQESA-N
MW383.20 g/mol
LogP2.97
Rot. Bonds6

About (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 8555603) has the molecular formula C15H15BrN2O5 and a molecular weight of 383.20 g/mol. Its IUPAC name is (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID8555603
Molecular FormulaC15H15BrN2O5
Molecular Weight383.20 g/mol
Exact Mass382.02
IUPAC Name(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1cc(Br)c(C=O)cc1O[C@@H](C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H15BrN2O5/c1-8-4-14(18-23-8)17-15(20)9(2)22-13-5-10(7-19)11(16)6-12(13)21-3/h4-7,9H,1-3H3,(H,17,18,20)/t9-/m0/s1
InChIKeyVXBMCAXTQLUTCI-VIFPVBQESA-N
XLogP2.97
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 8555502
methyl (2R)-2-(5-bromo-4-formyl-2-methoxyphenoxy)propanoate
CID 42573582
methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
CID 24511790
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 8945737
2-(2-acetyl-5-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51233960
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8949491
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 40674484
(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176243
(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40972075
2-(4-benzoylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17394443

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 8555603) is (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1cc(Br)c(C=O)cc1O[C@@H](C)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is VXBMCAXTQLUTCI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15BrN2O5/c1-8-4-14(18-23-8)17-15(20)9(2)22-13-5-10(7-19)11(16)6-12(13)21-3/h4-7,9H,1-3H3,(H,17,18,20)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 383.20 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 8555603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).