methyl 2-butyl-1,3-oxazole-4-carboxylate

C9H13NO3 — CID 15684492

IUPACmethyl 2-butyl-1,3-oxazole-4-carboxylate
SMILESCCCCc1nc(C(=O)OC)co1
InChIInChI=1S/C9H13NO3/c1-3-4-5-8-10-7(6-13-8)9(11)12-2/h6H,3-5H2,1-2H3
InChIKeyASJMVIBNWHBKDR-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.80
Rot. Bonds4

About methyl 2-butyl-1,3-oxazole-4-carboxylate

methyl 2-butyl-1,3-oxazole-4-carboxylate (PubChem CID 15684492) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 2-butyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-1,3-oxazole-4-carboxylate
PubChem CID15684492
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl 2-butyl-1,3-oxazole-4-carboxylate
SMILESCCCCc1nc(C(=O)OC)co1
InChIInChI=1S/C9H13NO3/c1-3-4-5-8-10-7(6-13-8)9(11)12-2/h6H,3-5H2,1-2H3
InChIKeyASJMVIBNWHBKDR-UHFFFAOYSA-N
XLogP1.80
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-butyl-1,3-oxazole-4-carboxylate (CID 15684492) is methyl 2-butyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-butyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-butyl-1,3-oxazole-4-carboxylate is CCCCc1nc(C(=O)OC)co1.
What is the InChIKey of methyl 2-butyl-1,3-oxazole-4-carboxylate?
The InChIKey is ASJMVIBNWHBKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-4-5-8-10-7(6-13-8)9(11)12-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 2-butyl-1,3-oxazole-4-carboxylate?
methyl 2-butyl-1,3-oxazole-4-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 15684492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).