methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate

C10H15BrN2O3 — CID 106373494

IUPACmethyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate
SMILESCCc1cnc(CNCC(Br)C(=O)OC)o1
InChIInChI=1S/C10H15BrN2O3/c1-3-7-4-13-9(16-7)6-12-5-8(11)10(14)15-2/h4,8,12H,3,5-6H2,1-2H3
InChIKeyNLHZGKCHWFFJMV-UHFFFAOYSA-N
MW291.15 g/mol
LogP1.26
Rot. Bonds6

About methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate

methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate (PubChem CID 106373494) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.15 g/mol. Its IUPAC name is methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate
PubChem CID106373494
Molecular FormulaC10H15BrN2O3
Molecular Weight291.15 g/mol
Exact Mass290.03
IUPAC Namemethyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate
SMILESCCc1cnc(CNCC(Br)C(=O)OC)o1
InChIInChI=1S/C10H15BrN2O3/c1-3-7-4-13-9(16-7)6-12-5-8(11)10(14)15-2/h4,8,12H,3,5-6H2,1-2H3
InChIKeyNLHZGKCHWFFJMV-UHFFFAOYSA-N
XLogP1.26
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
CID 106371286
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
CID 106371339
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103275226
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 106371334
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylacetamide
CID 106371047
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
N-ethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106370872
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanoate
CID 106371541
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371196
N,N-diethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106371331

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate?
The IUPAC name of methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate (CID 106373494) is methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate is CCc1cnc(CNCC(Br)C(=O)OC)o1.
What is the InChIKey of methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate?
The InChIKey is NLHZGKCHWFFJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-3-7-4-13-9(16-7)6-12-5-8(11)10(14)15-2/h4,8,12H,3,5-6H2,1-2H3.
What are the key properties of methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate?
methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate has a molecular weight of 291.15 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate is sourced from PubChem (CID 106373494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).