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

C14H13Br2NO3 — CID 107942073

IUPACmethyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2ccc(Br)cc2Br)oc1C(=O)OC
InChIInChI=1S/C14H13Br2NO3/c1-3-4-11-12(14(18)19-2)20-13(17-11)9-6-5-8(15)7-10(9)16/h5-7H,3-4H2,1-2H3
InChIKeySBEOUYZBAFRDHC-UHFFFAOYSA-N
MW403.07 g/mol
LogP4.61
Rot. Bonds4

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

methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate (PubChem CID 107942073) has the molecular formula C14H13Br2NO3 and a molecular weight of 403.07 g/mol. Its IUPAC name is methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
PubChem CID107942073
Molecular FormulaC14H13Br2NO3
Molecular Weight403.07 g/mol
Exact Mass400.93
IUPAC Namemethyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2ccc(Br)cc2Br)oc1C(=O)OC
InChIInChI=1S/C14H13Br2NO3/c1-3-4-11-12(14(18)19-2)20-13(17-11)9-6-5-8(15)7-10(9)16/h5-7H,3-4H2,1-2H3
InChIKeySBEOUYZBAFRDHC-UHFFFAOYSA-N
XLogP4.61
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.07
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371068
methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 106690540
methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371184
methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371286
ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 114370765
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
2-(4-bromo-2-methoxyphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842557
2-(2-bromo-3-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 107984237
2-(2,4-dibromophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 114018633
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate
CID 95910400

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate (CID 107942073) is methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate is CCCc1nc(-c2ccc(Br)cc2Br)oc1C(=O)OC.
What is the InChIKey of methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The InChIKey is SBEOUYZBAFRDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO3/c1-3-4-11-12(14(18)19-2)20-13(17-11)9-6-5-8(15)7-10(9)16/h5-7H,3-4H2,1-2H3.
What are the key properties of methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate?
methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate has a molecular weight of 403.07 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 107942073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).