3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one

C16H17BrN2O2S — CID 68904588

IUPAC3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C16H17BrN2O2S/c1-10(2)7-13-8-21-16(20)19(13)15-18-14(9-22-15)11-3-5-12(17)6-4-11/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyVDFPKUYVFCAICC-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.94
Rot. Bonds4

About 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one

3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 68904588) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID68904588
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC Name3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C16H17BrN2O2S/c1-10(2)7-13-8-21-16(20)19(13)15-18-14(9-22-15)11-3-5-12(17)6-4-11/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyVDFPKUYVFCAICC-UHFFFAOYSA-N
XLogP4.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 68904588) is 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)CC1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is VDFPKUYVFCAICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c1-10(2)7-13-8-21-16(20)19(13)15-18-14(9-22-15)11-3-5-12(17)6-4-11/h3-6,9-10,13H,7-8H2,1-2H3.
What are the key properties of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 381.30 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 68904588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).