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

C9H15NO3 — CID 18942530

IUPACmethyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate
SMILESCOC(=O)CCCCC1=NCCO1
InChIInChI=1S/C9H15NO3/c1-12-9(11)5-3-2-4-8-10-6-7-13-8/h2-7H2,1H3
InChIKeyNNKHPULWRGNPNR-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.15
Rot. Bonds5

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

methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate (PubChem CID 18942530) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate
PubChem CID18942530
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate
SMILESCOC(=O)CCCCC1=NCCO1
InChIInChI=1S/C9H15NO3/c1-12-9(11)5-3-2-4-8-10-6-7-13-8/h2-7H2,1H3
InChIKeyNNKHPULWRGNPNR-UHFFFAOYSA-N
XLogP1.15
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate?
The IUPAC name of methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate (CID 18942530) is methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate.
What is the SMILES notation for methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate?
The canonical SMILES for methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate is COC(=O)CCCCC1=NCCO1.
What is the InChIKey of methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate?
The InChIKey is NNKHPULWRGNPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-9(11)5-3-2-4-8-10-6-7-13-8/h2-7H2,1H3.
What are the key properties of methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate?
methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate has a molecular weight of 185.22 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate is sourced from PubChem (CID 18942530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).