ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate

C15H13BrClNO3 — CID 114372053

IUPACethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccc(Br)c(Cl)c2)nc1C1CC1
InChIInChI=1S/C15H13BrClNO3/c1-2-20-15(19)13-12(8-3-4-8)18-14(21-13)9-5-6-10(16)11(17)7-9/h5-8H,2-4H2,1H3
InChIKeyQEJMIOZSANHPKU-UHFFFAOYSA-N
MW370.63 g/mol
LogP4.81
Rot. Bonds4

About ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate

ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate (PubChem CID 114372053) has the molecular formula C15H13BrClNO3 and a molecular weight of 370.63 g/mol. Its IUPAC name is ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
PubChem CID114372053
Molecular FormulaC15H13BrClNO3
Molecular Weight370.63 g/mol
Exact Mass368.98
IUPAC Nameethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccc(Br)c(Cl)c2)nc1C1CC1
InChIInChI=1S/C15H13BrClNO3/c1-2-20-15(19)13-12(8-3-4-8)18-14(21-13)9-5-6-10(16)11(17)7-9/h5-8H,2-4H2,1H3
InChIKeyQEJMIOZSANHPKU-UHFFFAOYSA-N
XLogP4.81
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372042
ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372237
ethyl 2-(2-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372095
ethyl 5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate
CID 81307167
ethyl 2-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372317
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374257
ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate
CID 114372123
ethyl 2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371371
ethyl 2-(4-bromo-3-methylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199129
ethyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 114077100
2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114026696
ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 114372274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate (CID 114372053) is ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2ccc(Br)c(Cl)c2)nc1C1CC1.
What is the InChIKey of ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate?
The InChIKey is QEJMIOZSANHPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3/c1-2-20-15(19)13-12(8-3-4-8)18-14(21-13)9-5-6-10(16)11(17)7-9/h5-8H,2-4H2,1H3.
What are the key properties of ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate?
ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate has a molecular weight of 370.63 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114372053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).