(4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

C10H9BrN2O3 — CID 10968064

IUPAC(4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2ccccc2Br)=N1
InChIInChI=1S/C10H9BrN2O3/c11-7-4-2-1-3-6(7)10-12-8(5-16-10)9(14)13-15/h1-4,8,15H,5H2,(H,13,14)/t8-/m1/s1
InChIKeyRLINXXZQMRJARL-MRVPVSSYSA-N
MW285.10 g/mol
LogP1.10
Rot. Bonds2

About (4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 10968064) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is (4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID10968064
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name(4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2ccccc2Br)=N1
InChIInChI=1S/C10H9BrN2O3/c11-7-4-2-1-3-6(7)10-12-8(5-16-10)9(14)13-15/h1-4,8,15H,5H2,(H,13,14)/t8-/m1/s1
InChIKeyRLINXXZQMRJARL-MRVPVSSYSA-N
XLogP1.10
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
(4R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 10925902
2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 82369319
(4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 11000993
phenyl-[(4R)-2-[2-[(E)-3-phenylprop-2-enyl]selanylphenyl]-4,5-dihydro-1,3-oxazol-4-yl]methanone
CID 139266623
2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115061186
2-(3-fluoro-4-methoxy-5-prop-2-enylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 58342718
2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole
CID 53310587
(4S)-4-ethyl-2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101098684
(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101157322
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
methyl 2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 78070879

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 10968064) is (4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NO)[C@H]1COC(c2ccccc2Br)=N1.
What is the InChIKey of (4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is RLINXXZQMRJARL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c11-7-4-2-1-3-6(7)10-12-8(5-16-10)9(14)13-15/h1-4,8,15H,5H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 285.10 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-bromophenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10968064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).