methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate

C11H17NO3 — CID 46900968

IUPACmethyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate
SMILESCCCCCc1nc(C(=O)OC)c(C)o1
InChIInChI=1S/C11H17NO3/c1-4-5-6-7-9-12-10(8(2)15-9)11(13)14-3/h4-7H2,1-3H3
InChIKeyJYYCVRGQHQFXQF-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.50
Rot. Bonds5

About methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate

methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate (PubChem CID 46900968) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate
PubChem CID46900968
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate
SMILESCCCCCc1nc(C(=O)OC)c(C)o1
InChIInChI=1S/C11H17NO3/c1-4-5-6-7-9-12-10(8(2)15-9)11(13)14-3/h4-7H2,1-3H3
InChIKeyJYYCVRGQHQFXQF-UHFFFAOYSA-N
XLogP2.50
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.50
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-methyl-2-pentyl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate (CID 46900968) is methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate is CCCCCc1nc(C(=O)OC)c(C)o1.
What is the InChIKey of methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate?
The InChIKey is JYYCVRGQHQFXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-5-6-7-9-12-10(8(2)15-9)11(13)14-3/h4-7H2,1-3H3.
What are the key properties of methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate?
methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-pentyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46900968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).