(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one

C10H10BrNO2 — CID 130067475

IUPAC(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc([C@H]2COC(=O)N2)c(Br)c1
InChIInChI=1S/C10H10BrNO2/c1-6-2-3-7(8(11)4-6)9-5-14-10(13)12-9/h2-4,9H,5H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyKTMOIUZLQPCMHC-SECBINFHSA-N
MW256.10 g/mol
LogP2.54
Rot. Bonds1

About (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one

(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 130067475) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID130067475
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc([C@H]2COC(=O)N2)c(Br)c1
InChIInChI=1S/C10H10BrNO2/c1-6-2-3-7(8(11)4-6)9-5-14-10(13)12-9/h2-4,9H,5H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyKTMOIUZLQPCMHC-SECBINFHSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one (CID 130067475) is (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one is Cc1ccc([C@H]2COC(=O)N2)c(Br)c1.
What is the InChIKey of (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is KTMOIUZLQPCMHC-SECBINFHSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-6-2-3-7(8(11)4-6)9-5-14-10(13)12-9/h2-4,9H,5H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one?
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130067475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).