[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol

C12H13BrN2O4 — CID 43622608

IUPAC[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCc1nnc(C)o1
InChIInChI=1S/C12H13BrN2O4/c1-7-14-15-11(19-7)6-18-12-9(13)3-8(5-16)4-10(12)17-2/h3-4,16H,5-6H2,1-2H3
InChIKeyNQRZMHWOKOHHEX-UHFFFAOYSA-N
MW329.15 g/mol
LogP2.22
Rot. Bonds5

About [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol

[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol (PubChem CID 43622608) has the molecular formula C12H13BrN2O4 and a molecular weight of 329.15 g/mol. Its IUPAC name is [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
PubChem CID43622608
Molecular FormulaC12H13BrN2O4
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Name[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCc1nnc(C)o1
InChIInChI=1S/C12H13BrN2O4/c1-7-14-15-11(19-7)6-18-12-9(13)3-8(5-16)4-10(12)17-2/h3-4,16H,5-6H2,1-2H3
InChIKeyNQRZMHWOKOHHEX-UHFFFAOYSA-N
XLogP2.22
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol with MolForge

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Related Compounds

[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 28898150
[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
CID 60887910
[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60888899
2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 60905967
1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60878921
3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 43627063
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
CID 43622677
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43622685
[3-bromo-5-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590025
[6-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]methanol
CID 79157249
[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 103038353
[3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487504

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol (CID 43622608) is [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol is COc1cc(CO)cc(Br)c1OCc1nnc(C)o1.
What is the InChIKey of [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol?
The InChIKey is NQRZMHWOKOHHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O4/c1-7-14-15-11(19-7)6-18-12-9(13)3-8(5-16)4-10(12)17-2/h3-4,16H,5-6H2,1-2H3.
What are the key properties of [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol?
[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol has a molecular weight of 329.15 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 43622608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).