2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole

C29H23NO3 — CID 172549607

IUPAC2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cc3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)o2)cc1
InChIInChI=1S/C29H23NO3/c1-31-24-18-14-23(15-19-24)29-30-27(28(33-29)22-8-4-2-5-9-22)20-21-12-16-26(17-13-21)32-25-10-6-3-7-11-25/h2-19H,20H2,1H3
InChIKeyMAPALOQHSRHNNT-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.40
Rot. Bonds7

About 2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole

2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole (PubChem CID 172549607) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole
PubChem CID172549607
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Name2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cc3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)o2)cc1
InChIInChI=1S/C29H23NO3/c1-31-24-18-14-23(15-19-24)29-30-27(28(33-29)22-8-4-2-5-9-22)20-21-12-16-26(17-13-21)32-25-10-6-3-7-11-25/h2-19H,20H2,1H3
InChIKeyMAPALOQHSRHNNT-UHFFFAOYSA-N
XLogP7.40
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
CID 102463231
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533
N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3702958
[4-benzyl-2-(4-methoxyphenyl)-1,3-oxazol-5-yl] (4-fluorophenyl) carbonate
CID 53468773
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
4-(iodomethyl)-2-(4-methylphenyl)-5-phenyl-1,3-oxazole
CID 57434504
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline
CID 110653037
1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine
CID 66731672
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 152915211
5-methyl-4-[(4-phenylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 175236922
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole (CID 172549607) is 2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole is COc1ccc(-c2nc(Cc3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole?
The InChIKey is MAPALOQHSRHNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c1-31-24-18-14-23(15-19-24)29-30-27(28(33-29)22-8-4-2-5-9-22)20-21-12-16-26(17-13-21)32-25-10-6-3-7-11-25/h2-19H,20H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole?
2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole has a molecular weight of 433.51 g/mol, XLogP of 7.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 172549607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).