5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole

C12H12BrNO — CID 71734450

IUPAC5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C12H12BrNO/c1-8(2)12-14-7-11(15-12)9-4-3-5-10(13)6-9/h3-8H,1-2H3
InChIKeyNMOUIHOTXVWSKC-UHFFFAOYSA-N
MW266.14 g/mol
LogP4.23
Rot. Bonds2

About 5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole

5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole (PubChem CID 71734450) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole
PubChem CID71734450
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C12H12BrNO/c1-8(2)12-14-7-11(15-12)9-4-3-5-10(13)6-9/h3-8H,1-2H3
InChIKeyNMOUIHOTXVWSKC-UHFFFAOYSA-N
XLogP4.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179063
2-bromo-5-(3-bromophenyl)-1,3-oxazole
CID 117259582
2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869
5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole
CID 13268419
N-ethyl-1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181501
3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide
CID 133150041
(2S)-2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 27373770
(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 138039801
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487788
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 107952706
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
CID 65181733
5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84715623

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole (CID 71734450) is 5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole is CC(C)c1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is NMOUIHOTXVWSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-8(2)12-14-7-11(15-12)9-4-3-5-10(13)6-9/h3-8H,1-2H3.
What are the key properties of 5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole?
5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole has a molecular weight of 266.14 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 71734450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).