3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid

C11H13BrN2O5 — CID 21127765

IUPAC3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid
SMILESNC(=O)O.O=C1OC(CO)CN1c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO3.CH3NO2/c11-7-2-1-3-8(4-7)12-5-9(6-13)15-10(12)14;2-1(3)4/h1-4,9,13H,5-6H2;2H2,(H,3,4)
InChIKeyINFMLXJQTKCMDV-UHFFFAOYSA-N
MW333.14 g/mol
LogP1.39
Rot. Bonds2

About 3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid

3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid (PubChem CID 21127765) has the molecular formula C11H13BrN2O5 and a molecular weight of 333.14 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid
PubChem CID21127765
Molecular FormulaC11H13BrN2O5
Molecular Weight333.14 g/mol
Exact Mass332.00
IUPAC Name3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid
SMILESNC(=O)O.O=C1OC(CO)CN1c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO3.CH3NO2/c11-7-2-1-3-8(4-7)12-5-9(6-13)15-10(12)14;2-1(3)4/h1-4,9,13H,5-6H2;2H2,(H,3,4)
InChIKeyINFMLXJQTKCMDV-UHFFFAOYSA-N
XLogP1.39
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-(hydroxymethyl)-3-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 69127864
3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011573
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
3-(3-fluorophenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 77164925
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid?
The IUPAC name of 3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid (CID 21127765) is 3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid.
What is the SMILES notation for 3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid?
The canonical SMILES for 3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid is NC(=O)O.O=C1OC(CO)CN1c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid?
The InChIKey is INFMLXJQTKCMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3.CH3NO2/c11-7-2-1-3-8(4-7)12-5-9(6-13)15-10(12)14;2-1(3)4/h1-4,9,13H,5-6H2;2H2,(H,3,4).
What are the key properties of 3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid?
3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid has a molecular weight of 333.14 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid is sourced from PubChem (CID 21127765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).