[(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone

C19H20BrNO2 — CID 12554098

IUPAC[(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone
SMILESCN1[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)OC1(C)C
InChIInChI=1S/C19H20BrNO2/c1-19(2)21(3)16(17(22)13-7-5-4-6-8-13)18(23-19)14-9-11-15(20)12-10-14/h4-12,16,18H,1-3H3/t16-,18+/m0/s1
InChIKeyUZCOBFFLJHSNSY-FUHWJXTLSA-N
MW374.28 g/mol
LogP4.44
Rot. Bonds3

About [(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone

[(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone (PubChem CID 12554098) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is [(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone
PubChem CID12554098
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name[(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone
SMILESCN1[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)OC1(C)C
InChIInChI=1S/C19H20BrNO2/c1-19(2)21(3)16(17(22)13-7-5-4-6-8-13)18(23-19)14-9-11-15(20)12-10-14/h4-12,16,18H,1-3H3/t16-,18+/m0/s1
InChIKeyUZCOBFFLJHSNSY-FUHWJXTLSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone?
The IUPAC name of [(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone (CID 12554098) is [(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone.
What is the SMILES notation for [(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone?
The canonical SMILES for [(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone is CN1[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)OC1(C)C.
What is the InChIKey of [(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone?
The InChIKey is UZCOBFFLJHSNSY-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-19(2)21(3)16(17(22)13-7-5-4-6-8-13)18(23-19)14-9-11-15(20)12-10-14/h4-12,16,18H,1-3H3/t16-,18+/m0/s1.
What are the key properties of [(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone?
[(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone has a molecular weight of 374.28 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(4-bromophenyl)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]-phenylmethanone is sourced from PubChem (CID 12554098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).