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

C14H13Cl2NO3 — CID 114371068

IUPACmethyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2cc(Cl)ccc2Cl)oc1C(=O)OC
InChIInChI=1S/C14H13Cl2NO3/c1-3-4-11-12(14(18)19-2)20-13(17-11)9-7-8(15)5-6-10(9)16/h5-7H,3-4H2,1-2H3
InChIKeyNYGSUVJXDMMSMP-UHFFFAOYSA-N
MW314.17 g/mol
LogP4.39
Rot. Bonds4

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

methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate (PubChem CID 114371068) has the molecular formula C14H13Cl2NO3 and a molecular weight of 314.17 g/mol. Its IUPAC name is methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
PubChem CID114371068
Molecular FormulaC14H13Cl2NO3
Molecular Weight314.17 g/mol
Exact Mass313.03
IUPAC Namemethyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2cc(Cl)ccc2Cl)oc1C(=O)OC
InChIInChI=1S/C14H13Cl2NO3/c1-3-4-11-12(14(18)19-2)20-13(17-11)9-7-8(15)5-6-10(9)16/h5-7H,3-4H2,1-2H3
InChIKeyNYGSUVJXDMMSMP-UHFFFAOYSA-N
XLogP4.39
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,4-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371700
methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 106690540
methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107942073
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-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
methyl 2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazole-5-carboxylate
CID 58284345
methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371280
[2-(2-chlorophenyl)-4-propyl-1,3-oxazol-5-yl] hydrogen carbonate
CID 70968191
2-(5-bromo-2-chlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459743
methyl 6-chloro-3-(2,5-dichlorophenyl)pyridine-2-carboxylate
CID 133088306

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate (CID 114371068) is methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate is CCCc1nc(-c2cc(Cl)ccc2Cl)oc1C(=O)OC.
What is the InChIKey of methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate?
The InChIKey is NYGSUVJXDMMSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3/c1-3-4-11-12(14(18)19-2)20-13(17-11)9-7-8(15)5-6-10(9)16/h5-7H,3-4H2,1-2H3.
What are the key properties of methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate?
methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate has a molecular weight of 314.17 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).