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

C11H17NO3 — CID 132501836

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

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

methyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate (PubChem CID 132501836) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate
PubChem CID132501836
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate
SMILESCCCCCc1nc(C)c(C(=O)OC)o1
InChIInChI=1S/C11H17NO3/c1-4-5-6-7-9-12-8(2)10(15-9)11(13)14-3/h4-7H2,1-3H3
InChIKeyLZACRFVVSKOBQH-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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Related Compounds

methyl 2-butyl-4-tert-butyl-1,3-oxazole-5-carboxylate
CID 114370828
methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371711
methyl 5-undecyl-1,3,4-oxadiazole-2-carboxylate
CID 115960722
methyl 2-heptyl-5-phenyl-1,3-oxazole-4-carboxylate
CID 15646209
methyl 3-heptyl-5-methylfuran-2-carboxylate
CID 14791756
methyl 2-octyl-1,3-benzoxazole-6-carboxylate
CID 10732176
ethyl 5-undecyl-1,3,4-oxadiazole-2-carboxylate
CID 115960778
ethyl 5-octyl-1,3,4-oxadiazole-2-carboxylate
CID 112619344
ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate
CID 68572624
methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
CID 130703206
methyl 2-(2-methylbutyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114877409
ethyl 4-methyl-2-(2-oxopropyl)-1,3-oxazole-5-carboxylate;4-methyl-2-(2-oxopropyl)-1,3-oxazole-5-carboxylic acid
CID 159865521

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate (CID 132501836) is methyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate is CCCCCc1nc(C)c(C(=O)OC)o1.
What is the InChIKey of methyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate?
The InChIKey is LZACRFVVSKOBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-5-6-7-9-12-8(2)10(15-9)11(13)14-3/h4-7H2,1-3H3.
What are the key properties of methyl 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate?
methyl 4-methyl-2-pentyl-1,3-oxazole-5-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 4-methyl-2-pentyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 132501836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).