methyl 2-(1,2-oxazol-5-yl)propanoate

C7H9NO3 — CID 90936290

IUPACmethyl 2-(1,2-oxazol-5-yl)propanoate
SMILESCOC(=O)C(C)c1ccno1
InChIInChI=1S/C7H9NO3/c1-5(7(9)10-2)6-3-4-8-11-6/h3-5H,1-2H3
InChIKeyMEKWDSZVOVJDFK-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.95
Rot. Bonds2

About methyl 2-(1,2-oxazol-5-yl)propanoate

methyl 2-(1,2-oxazol-5-yl)propanoate (PubChem CID 90936290) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 2-(1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1,2-oxazol-5-yl)propanoate
PubChem CID90936290
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 2-(1,2-oxazol-5-yl)propanoate
SMILESCOC(=O)C(C)c1ccno1
InChIInChI=1S/C7H9NO3/c1-5(7(9)10-2)6-3-4-8-11-6/h3-5H,1-2H3
InChIKeyMEKWDSZVOVJDFK-UHFFFAOYSA-N
XLogP0.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(1,2-oxazol-5-yl)octanoate
CID 7081601
methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
CID 77230842
1-(1,2-oxazol-5-yl)ethanesulfonic acid
CID 155439025
methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate
CID 22402925
methyl 2-(5-ethenylfuran-2-yl)propanoate
CID 58973597
methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate
CID 131330518
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl 2-(1H-imidazol-2-yl)propanoate
CID 67005810
methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate
CID 106419792
3-methylbutyl 1,2-oxazole-5-carboxylate
CID 164887837
ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate
CID 59132728

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2-oxazol-5-yl)propanoate?
The IUPAC name of methyl 2-(1,2-oxazol-5-yl)propanoate (CID 90936290) is methyl 2-(1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for methyl 2-(1,2-oxazol-5-yl)propanoate?
The canonical SMILES for methyl 2-(1,2-oxazol-5-yl)propanoate is COC(=O)C(C)c1ccno1.
What is the InChIKey of methyl 2-(1,2-oxazol-5-yl)propanoate?
The InChIKey is MEKWDSZVOVJDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(7(9)10-2)6-3-4-8-11-6/h3-5H,1-2H3.
What are the key properties of methyl 2-(1,2-oxazol-5-yl)propanoate?
methyl 2-(1,2-oxazol-5-yl)propanoate has a molecular weight of 155.15 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 90936290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).