3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole

C10H10BrNO2 — CID 174480257

IUPAC3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole
SMILESCOC1CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C10H10BrNO2/c1-13-10-6-9(12-14-10)7-2-4-8(11)5-3-7/h2-5,10H,6H2,1H3
InChIKeyBFLSZLPAGXPUME-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.55
Rot. Bonds2

About 3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole

3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole (PubChem CID 174480257) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole
PubChem CID174480257
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole
SMILESCOC1CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C10H10BrNO2/c1-13-10-6-9(12-14-10)7-2-4-8(11)5-3-7/h2-5,10H,6H2,1H3
InChIKeyBFLSZLPAGXPUME-UHFFFAOYSA-N
XLogP2.55
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
CID 23542518
3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole
CID 174491508
3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 150023445
[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 59749522
2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol
CID 137216130
5-(4-bromophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole
CID 172553236
2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetonitrile
CID 89274764
hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium
CID 175319354
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
1-bromo-4-[2-(4-bromophenyl)-4-methoxycyclopenten-1-yl]benzene
CID 132524683
(5R)-3-(4-methoxyphenyl)-5-[(2S)-thiiran-2-yl]-4,5-dihydro-1,2-oxazole
CID 10966475
(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl) acetate
CID 590082

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole (CID 174480257) is 3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole is COC1CC(c2ccc(Br)cc2)=NO1.
What is the InChIKey of 3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole?
The InChIKey is BFLSZLPAGXPUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-13-10-6-9(12-14-10)7-2-4-8(11)5-3-7/h2-5,10H,6H2,1H3.
What are the key properties of 3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole?
3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole has a molecular weight of 256.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 174480257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).