3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole

C20H19N3O2 — CID 174638455

IUPAC3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole
SMILESC1=CN(c2ccc(OCc3ccccc3)cc2)CN1Cc1ccon1
InChIInChI=1S/C20H19N3O2/c1-2-4-17(5-3-1)15-24-20-8-6-19(7-9-20)23-12-11-22(16-23)14-18-10-13-25-21-18/h1-13H,14-16H2
InChIKeyCVHDYXHSQMMBTR-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.00
Rot. Bonds6

About 3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole

3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 174638455) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID174638455
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole
SMILESC1=CN(c2ccc(OCc3ccccc3)cc2)CN1Cc1ccon1
InChIInChI=1S/C20H19N3O2/c1-2-4-17(5-3-1)15-24-20-8-6-19(7-9-20)23-12-11-22(16-23)14-18-10-13-25-21-18/h1-13H,14-16H2
InChIKeyCVHDYXHSQMMBTR-UHFFFAOYSA-N
XLogP4.00
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-2H-imidazole
CID 101386591
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,2-oxazole
CID 141170966
1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide
CID 175897383
5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole
CID 141145466
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
CID 101083627
CID 101083627
2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid
CID 117094930
4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
CID 23821636
1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
CID 132530536
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole (CID 174638455) is 3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole is C1=CN(c2ccc(OCc3ccccc3)cc2)CN1Cc1ccon1.
What is the InChIKey of 3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is CVHDYXHSQMMBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-4-17(5-3-1)15-24-20-8-6-19(7-9-20)23-12-11-22(16-23)14-18-10-13-25-21-18/h1-13H,14-16H2.
What are the key properties of 3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole?
3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 333.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 174638455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).