methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate

C16H25NO3 — CID 114371262

IUPACmethyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(C2CCCCCCC2)oc1C(=O)OC
InChIInChI=1S/C16H25NO3/c1-3-9-13-14(16(18)19-2)20-15(17-13)12-10-7-5-4-6-8-11-12/h12H,3-11H2,1-2H3
InChIKeyBYSOTIWCMNBWAH-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.24
Rot. Bonds4

About methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate

methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate (PubChem CID 114371262) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate
PubChem CID114371262
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(C2CCCCCCC2)oc1C(=O)OC
InChIInChI=1S/C16H25NO3/c1-3-9-13-14(16(18)19-2)20-15(17-13)12-10-7-5-4-6-8-11-12/h12H,3-11H2,1-2H3
InChIKeyBYSOTIWCMNBWAH-UHFFFAOYSA-N
XLogP4.24
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate (CID 114371262) is methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate is CCCc1nc(C2CCCCCCC2)oc1C(=O)OC.
What is the InChIKey of methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate?
The InChIKey is BYSOTIWCMNBWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-9-13-14(16(18)19-2)20-15(17-13)12-10-7-5-4-6-8-11-12/h12H,3-11H2,1-2H3.
What are the key properties of methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate?
methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).