(5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H15BrN2O4 — CID 40638390

IUPAC(5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@@H](C(=O)Nc2cc(Br)ccc2O)C1
InChIInChI=1S/C17H15BrN2O4/c1-23-15-5-3-2-4-11(15)12-9-16(24-20-12)17(22)19-13-8-10(18)6-7-14(13)21/h2-8,16,21H,9H2,1H3,(H,19,22)/t16-/m1/s1
InChIKeyXLGLUPMRHXMNGQ-MRXNPFEDSA-N
MW391.22 g/mol
LogP3.30
Rot. Bonds4

About (5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 40638390) has the molecular formula C17H15BrN2O4 and a molecular weight of 391.22 g/mol. Its IUPAC name is (5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID40638390
Molecular FormulaC17H15BrN2O4
Molecular Weight391.22 g/mol
Exact Mass390.02
IUPAC Name(5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@@H](C(=O)Nc2cc(Br)ccc2O)C1
InChIInChI=1S/C17H15BrN2O4/c1-23-15-5-3-2-4-11(15)12-9-16(24-20-12)17(22)19-13-8-10(18)6-7-14(13)21/h2-8,16,21H,9H2,1H3,(H,19,22)/t16-/m1/s1
InChIKeyXLGLUPMRHXMNGQ-MRXNPFEDSA-N
XLogP3.30
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(5R)-N-(5-bromo-2-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503510
(5S)-N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638409
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
(5R)-N-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829493
3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687
(5S)-3-(2-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638495
N-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493636
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28815180
(5S)-3-(3-bromophenyl)-N-(5-chloro-2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302199

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 40638390) is (5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NO[C@@H](C(=O)Nc2cc(Br)ccc2O)C1.
What is the InChIKey of (5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is XLGLUPMRHXMNGQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15BrN2O4/c1-23-15-5-3-2-4-11(15)12-9-16(24-20-12)17(22)19-13-8-10(18)6-7-14(13)21/h2-8,16,21H,9H2,1H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 391.22 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 40638390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).