1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol

C20H20BrNO3 — CID 66582086

IUPAC1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2c(C)noc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H20BrNO3/c1-13-19(20(25-22-13)15-6-8-16(21)9-7-15)18(23)12-5-14-3-10-17(24-2)11-4-14/h3-4,6-11,18,23H,5,12H2,1-2H3
InChIKeyYTAZXBRSSNPZRL-UHFFFAOYSA-N
MW402.29 g/mol
LogP5.09
Rot. Bonds6

About 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol

1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 66582086) has the molecular formula C20H20BrNO3 and a molecular weight of 402.29 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol
PubChem CID66582086
Molecular FormulaC20H20BrNO3
Molecular Weight402.29 g/mol
Exact Mass401.06
IUPAC Name1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2c(C)noc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H20BrNO3/c1-13-19(20(25-22-13)15-6-8-16(21)9-7-15)18(23)12-5-14-3-10-17(24-2)11-4-14/h3-4,6-11,18,23H,5,12H2,1-2H3
InChIKeyYTAZXBRSSNPZRL-UHFFFAOYSA-N
XLogP5.09
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.29
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol with MolForge

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Related Compounds

ethyl 2-[1-[4-[4-[4-[1-hydroxy-3-(4-methoxyphenyl)propyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropyl]acetate
CID 66578633
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol
CID 67092921
[(1R)-1-(4-methoxyphenyl)ethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 66660602
4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750
1-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]benzene
CID 55199636
3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 105101400
1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 114885667
1-bromo-4-[2-bromo-4-(4-methoxyphenyl)butyl]benzene
CID 63542238
1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107985716
[1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-(4-methoxyphenyl)ethyl]carbamic acid
CID 173075440
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol (CID 66582086) is 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2c(C)noc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is YTAZXBRSSNPZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO3/c1-13-19(20(25-22-13)15-6-8-16(21)9-7-15)18(23)12-5-14-3-10-17(24-2)11-4-14/h3-4,6-11,18,23H,5,12H2,1-2H3.
What are the key properties of 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol?
1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 402.29 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 66582086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).