(5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole

C15H13BrN2O2 — CID 58126076

IUPAC(5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(OC2=NO[C@@H](c3ccc(Br)cc3)C2)cn1
InChIInChI=1S/C15H13BrN2O2/c1-10-2-7-13(9-17-10)19-15-8-14(20-18-15)11-3-5-12(16)6-4-11/h2-7,9,14H,8H2,1H3/t14-/m1/s1
InChIKeyMZDBXHVEDGSXKK-CQSZACIVSA-N
MW333.19 g/mol
LogP4.01
Rot. Bonds2

About (5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole

(5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole (PubChem CID 58126076) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole
PubChem CID58126076
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name(5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(OC2=NO[C@@H](c3ccc(Br)cc3)C2)cn1
InChIInChI=1S/C15H13BrN2O2/c1-10-2-7-13(9-17-10)19-15-8-14(20-18-15)11-3-5-12(16)6-4-11/h2-7,9,14H,8H2,1H3/t14-/m1/s1
InChIKeyMZDBXHVEDGSXKK-CQSZACIVSA-N
XLogP4.01
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 58126225
(5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 58126593
(5R)-3-pyridin-3-yloxy-5-(4-pyridin-3-yloxyphenyl)-4,5-dihydro-1,2-oxazole
CID 58126017
methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate
CID 88979364
(5S)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 89012489
5-[[(5R)-5-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid
CID 88979314
N-[5-[[(5S)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]acetamide
CID 88979580
(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 162121836
(5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 58126206
3-bromo-5-[4-(6-methylpyridazin-3-yl)oxyphenyl]-4,5-dihydro-1,2-oxazole
CID 58126420
bis(carbon dioxide);(5S)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole;(5R)-3-phenoxy-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 159921333
(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
CID 58126495

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole (CID 58126076) is (5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole is Cc1ccc(OC2=NO[C@@H](c3ccc(Br)cc3)C2)cn1.
What is the InChIKey of (5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole?
The InChIKey is MZDBXHVEDGSXKK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-10-2-7-13(9-17-10)19-15-8-14(20-18-15)11-3-5-12(16)6-4-11/h2-7,9,14H,8H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole?
(5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole has a molecular weight of 333.19 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-3-[(6-methyl-3-pyridinyl)oxy]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).