methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate

C12H12ClNO4 — CID 106690540

IUPACmethyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2ccc(Cl)o2)oc1C(=O)OC
InChIInChI=1S/C12H12ClNO4/c1-3-4-7-10(12(15)16-2)18-11(14-7)8-5-6-9(13)17-8/h5-6H,3-4H2,1-2H3
InChIKeyQUJWBCHOCNUMNP-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.33
Rot. Bonds4

About methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate

methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate (PubChem CID 106690540) has the molecular formula C12H12ClNO4 and a molecular weight of 269.68 g/mol. Its IUPAC name is methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
PubChem CID106690540
Molecular FormulaC12H12ClNO4
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Namemethyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2ccc(Cl)o2)oc1C(=O)OC
InChIInChI=1S/C12H12ClNO4/c1-3-4-7-10(12(15)16-2)18-11(14-7)8-5-6-9(13)17-8/h5-6H,3-4H2,1-2H3
InChIKeyQUJWBCHOCNUMNP-UHFFFAOYSA-N
XLogP3.33
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371068
methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371184
methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107942073
methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371286
methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371293
methyl 2-(5-iodothiophen-3-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371049
methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371280
methyl 2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazole-5-carboxylate
CID 58284345
ethyl 2-(5-chlorofuran-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 106690562
methyl 2-(2-methylbutyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114877409
methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107003577
methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate
CID 114371262

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate (CID 106690540) is methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate is CCCc1nc(-c2ccc(Cl)o2)oc1C(=O)OC.
What is the InChIKey of methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate?
The InChIKey is QUJWBCHOCNUMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4/c1-3-4-7-10(12(15)16-2)18-11(14-7)8-5-6-9(13)17-8/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate?
methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate has a molecular weight of 269.68 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 106690540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).