methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate

C7H11NO3 — CID 22667488

IUPACmethyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate
SMILESCOC(=O)CCC1=NCCO1
InChIInChI=1S/C7H11NO3/c1-10-7(9)3-2-6-8-4-5-11-6/h2-5H2,1H3
InChIKeyNIRYAMUQLIEZLP-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.37
Rot. Bonds3

About methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate

methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate (PubChem CID 22667488) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate
PubChem CID22667488
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate
SMILESCOC(=O)CCC1=NCCO1
InChIInChI=1S/C7H11NO3/c1-10-7(9)3-2-6-8-4-5-11-6/h2-5H2,1H3
InChIKeyNIRYAMUQLIEZLP-UHFFFAOYSA-N
XLogP0.37
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate?
The IUPAC name of methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate (CID 22667488) is methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate.
What is the SMILES notation for methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate?
The canonical SMILES for methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate is COC(=O)CCC1=NCCO1.
What is the InChIKey of methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate?
The InChIKey is NIRYAMUQLIEZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-10-7(9)3-2-6-8-4-5-11-6/h2-5H2,1H3.
What are the key properties of methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate?
methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate has a molecular weight of 157.17 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate is sourced from PubChem (CID 22667488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).