4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol

C15H11BrN2O2 — CID 135429335

IUPAC4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol
SMILESCc1cccnc1-c1cc(-c2cc(Br)ccc2O)no1
InChIInChI=1S/C15H11BrN2O2/c1-9-3-2-6-17-15(9)14-8-12(18-20-14)11-7-10(16)4-5-13(11)19/h2-8,19H,1H3
InChIKeyKHJJGGIGRQEDMT-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.18
Rot. Bonds2

About 4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol

4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol (PubChem CID 135429335) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol
PubChem CID135429335
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol
SMILESCc1cccnc1-c1cc(-c2cc(Br)ccc2O)no1
InChIInChI=1S/C15H11BrN2O2/c1-9-3-2-6-17-15(9)14-8-12(18-20-14)11-7-10(16)4-5-13(11)19/h2-8,19H,1H3
InChIKeyKHJJGGIGRQEDMT-UHFFFAOYSA-N
XLogP4.18
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-Phenyl-1,2-oxazol-5-yl)methyl]pyridin-3-ol
CID 145981178
2-[5-(4,5-Dibromo-1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]phenol
CID 136239431
4-Bromo-2-[5-[3-(trifluoromethyl)-2-pyridyl]isoxazol-3-yl]phenol
CID 135429332
2-(3-Phenyl-5-isoxazolyl)pyridine
CID 12848040
5-Bromo-3-(pyridin-2-yl)-2,1-benzoxazole
CID 21828157
2-[5-(2-Pyridyl)isoxazol-3-yl]phenol
CID 135429327
4-Chloro-2-[5-(2-pyridyl)isoxazol-3-yl]phenol
CID 135429330
4-Bromo-2-[5-(2-pyridyl)isoxazol-3-yl]phenol
CID 135429334
4-Methoxy-2-[5-(3-methyl-2-pyridyl)isoxazol-3-yl]phenol
CID 135429336
(5-Bromo-4-fluoro-2-hydroxyphenyl)-(3-hydroxy-1-oxidopyridin-1-ium-2-yl)methanone
CID 53722491
5-(5-Bromo-3-fluoro-2-pyridinyl)-3,4-dimethyl-1,2-oxazole
CID 169757550
4-(3-Bromophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
CID 104643343

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol?
The IUPAC name of 4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol (CID 135429335) is 4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol is Cc1cccnc1-c1cc(-c2cc(Br)ccc2O)no1.
What is the InChIKey of 4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol?
The InChIKey is KHJJGGIGRQEDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9-3-2-6-17-15(9)14-8-12(18-20-14)11-7-10(16)4-5-13(11)19/h2-8,19H,1H3.
What are the key properties of 4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol?
4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol has a molecular weight of 331.17 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[5-(3-methyl-2-pyridinyl)-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 135429335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).