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

C11H12BrNO — CID 23542518

IUPAC3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C11H12BrNO/c1-2-10-7-11(13-14-10)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeyVOLBOEOUTYALAX-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.35
Rot. Bonds2

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

3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole (PubChem CID 23542518) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
PubChem CID23542518
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C11H12BrNO/c1-2-10-7-11(13-14-10)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeyVOLBOEOUTYALAX-UHFFFAOYSA-N
XLogP3.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetonitrile
CID 89274764
[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 59749522
5-(bromomethyl)-3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole
CID 102568558
5-pentyl-3-[4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 86091004
3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole
CID 174480257
3-(4-bromophenyl)-5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole
CID 59749439
[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 95348459
3-bromo-5-ethyl-4,5-dihydro-1,2-oxazole
CID 105437258
3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 150023445
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
N-methyl-1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 42789312
3-(4-bromo-3-methylphenyl)-5-(chloromethyl)-4,5-dihydro-1,2-oxazole
CID 66481694

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole (CID 23542518) is 3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole is CCC1CC(c2ccc(Br)cc2)=NO1.
What is the InChIKey of 3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is VOLBOEOUTYALAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-2-10-7-11(13-14-10)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3.
What are the key properties of 3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole?
3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 254.13 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 23542518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).