N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

C12H13BrN2O3 — CID 47378353

IUPACN-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESO=C(CCN1CCOC1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O3/c13-9-1-3-10(4-2-9)14-11(16)5-6-15-7-8-18-12(15)17/h1-4H,5-8H2,(H,14,16)
InChIKeyQGHDSWLUJUCDDI-UHFFFAOYSA-N
MW313.15 g/mol
LogP2.23
Rot. Bonds4

About N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (PubChem CID 47378353) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
PubChem CID47378353
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC NameN-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESO=C(CCN1CCOC1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O3/c13-9-1-3-10(4-2-9)14-11(16)5-6-15-7-8-18-12(15)17/h1-4H,5-8H2,(H,14,16)
InChIKeyQGHDSWLUJUCDDI-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378519
N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378611
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686968
N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377806
N-(3-acetamidophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686933
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686957
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide
CID 47072562
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
CID 71937437
N-[2-(4-bromophenyl)sulfanylpropyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
CID 86904363
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686958
5-bromo-N-[4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]phenyl]-1-propylpyridin-1-ium-3-carboxamide
CID 67843862
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)propanamide
CID 47377794

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (CID 47378353) is N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is O=C(CCN1CCOC1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The InChIKey is QGHDSWLUJUCDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c13-9-1-3-10(4-2-9)14-11(16)5-6-15-7-8-18-12(15)17/h1-4H,5-8H2,(H,14,16).
What are the key properties of N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide has a molecular weight of 313.15 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is sourced from PubChem (CID 47378353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).