methyl 3-nonyl-1,2-oxazole-5-carboxylate

C14H23NO3 — CID 10944947

IUPACmethyl 3-nonyl-1,2-oxazole-5-carboxylate
SMILESCCCCCCCCCc1cc(C(=O)OC)on1
InChIInChI=1S/C14H23NO3/c1-3-4-5-6-7-8-9-10-12-11-13(18-15-12)14(16)17-2/h11H,3-10H2,1-2H3
InChIKeyKHGSELADISSZLN-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.75
Rot. Bonds9

About methyl 3-nonyl-1,2-oxazole-5-carboxylate

methyl 3-nonyl-1,2-oxazole-5-carboxylate (PubChem CID 10944947) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 3-nonyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-nonyl-1,2-oxazole-5-carboxylate
PubChem CID10944947
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 3-nonyl-1,2-oxazole-5-carboxylate
SMILESCCCCCCCCCc1cc(C(=O)OC)on1
InChIInChI=1S/C14H23NO3/c1-3-4-5-6-7-8-9-10-12-11-13(18-15-12)14(16)17-2/h11H,3-10H2,1-2H3
InChIKeyKHGSELADISSZLN-UHFFFAOYSA-N
XLogP3.75
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.75
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 3-nonyl-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-nonyl-1,2-oxazole-5-carboxylate (CID 10944947) is methyl 3-nonyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-nonyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-nonyl-1,2-oxazole-5-carboxylate is CCCCCCCCCc1cc(C(=O)OC)on1.
What is the InChIKey of methyl 3-nonyl-1,2-oxazole-5-carboxylate?
The InChIKey is KHGSELADISSZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-4-5-6-7-8-9-10-12-11-13(18-15-12)14(16)17-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 3-nonyl-1,2-oxazole-5-carboxylate?
methyl 3-nonyl-1,2-oxazole-5-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-nonyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 10944947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).