1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol

C10H10BrNO2 — CID 175597034

IUPAC1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol
SMILESCc1nc2c(Br)cc(C(C)O)cc2o1
InChIInChI=1S/C10H10BrNO2/c1-5(13)7-3-8(11)10-9(4-7)14-6(2)12-10/h3-5,13H,1-2H3
InChIKeyBQGMTVSKGVJMNX-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.95
Rot. Bonds1

About 1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol

1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol (PubChem CID 175597034) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol
PubChem CID175597034
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol
SMILESCc1nc2c(Br)cc(C(C)O)cc2o1
InChIInChI=1S/C10H10BrNO2/c1-5(13)7-3-8(11)10-9(4-7)14-6(2)12-10/h3-5,13H,1-2H3
InChIKeyBQGMTVSKGVJMNX-UHFFFAOYSA-N
XLogP2.95
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-bromo-2-methyl-1,3-benzoxazole-6-carboxylate
CID 138495450
2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 22021331
2-chloro-1-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116863715
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
4-fluoro-2-methyl-6-propan-2-yl-1,3-benzoxazol-5-ol
CID 170652270
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43769785
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
1-(3-bromo-4-chloro-5-fluorophenyl)ethanol
CID 117386869
2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid
CID 131325865
(1S)-1-[3-bromo-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 65041045
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol?
The IUPAC name of 1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol (CID 175597034) is 1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol is Cc1nc2c(Br)cc(C(C)O)cc2o1.
What is the InChIKey of 1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol?
The InChIKey is BQGMTVSKGVJMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-5(13)7-3-8(11)10-9(4-7)14-6(2)12-10/h3-5,13H,1-2H3.
What are the key properties of 1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol?
1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol has a molecular weight of 256.10 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methyl-1,3-benzoxazol-6-yl)ethanol is sourced from PubChem (CID 175597034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).