2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol

C12H12BrNO2 — CID 115084055

IUPAC2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol
SMILESOCCc1coc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrNO2/c13-10-3-1-9(2-4-10)7-12-14-11(5-6-15)8-16-12/h1-4,8,15H,5-7H2
InChIKeyNOCPRSGTMOTBSO-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.56
Rot. Bonds4

About 2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol

2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol (PubChem CID 115084055) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol
PubChem CID115084055
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol
SMILESOCCc1coc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrNO2/c13-10-3-1-9(2-4-10)7-12-14-11(5-6-15)8-16-12/h1-4,8,15H,5-7H2
InChIKeyNOCPRSGTMOTBSO-UHFFFAOYSA-N
XLogP2.56
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084153
2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084128
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084172
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084149
3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084171
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115084076
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084165
5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-one
CID 115079030
2-(4-bromophenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718625
2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335873
[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine
CID 115024489

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol (CID 115084055) is 2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol is OCCc1coc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol?
The InChIKey is NOCPRSGTMOTBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-10-3-1-9(2-4-10)7-12-14-11(5-6-15)8-16-12/h1-4,8,15H,5-7H2.
What are the key properties of 2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol?
2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol has a molecular weight of 282.14 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 115084055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).