4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole

C22H23N3O3S — CID 22009601

IUPAC4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole
SMILESCOc1cc(CCCn2ccnc2)ccc1OCc1coc(-c2ccc(C)s2)n1
InChIInChI=1S/C22H23N3O3S/c1-16-5-8-21(29-16)22-24-18(14-28-22)13-27-19-7-6-17(12-20(19)26-2)4-3-10-25-11-9-23-15-25/h5-9,11-12,14-15H,3-4,10,13H2,1-2H3
InChIKeyVMLPQKTVXYWCNU-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.13
Rot. Bonds9

About 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole

4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole (PubChem CID 22009601) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole
PubChem CID22009601
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole
SMILESCOc1cc(CCCn2ccnc2)ccc1OCc1coc(-c2ccc(C)s2)n1
InChIInChI=1S/C22H23N3O3S/c1-16-5-8-21(29-16)22-24-18(14-28-22)13-27-19-7-6-17(12-20(19)26-2)4-3-10-25-11-9-23-15-25/h5-9,11-12,14-15H,3-4,10,13H2,1-2H3
InChIKeyVMLPQKTVXYWCNU-UHFFFAOYSA-N
XLogP5.13
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole with MolForge

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Related Compounds

4-[[2-chloro-4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole
CID 22009593
4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(4-methylthiophen-2-yl)-1,3-oxazole
CID 22009852
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
4-(3-imidazol-1-ylpropyl)-2-(5-methylthiophen-2-yl)-5-(phenoxymethyl)-1,3-oxazole
CID 142666103
3-imidazol-1-yl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156153
N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 61494612
[4-[4-[[3-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazol-2-yl]phenyl]-phenylmethanone
CID 22009790
4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole
CID 22009780
2-(4-benzhydryloxyphenyl)-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole
CID 22009651
4-[[6-(3-imidazol-1-ylpropyl)naphthalen-2-yl]oxymethyl]-2-[(E)-2-phenylethenyl]-1,3-oxazole
CID 139970266
2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole
CID 22009588
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole?
The IUPAC name of 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole (CID 22009601) is 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole is COc1cc(CCCn2ccnc2)ccc1OCc1coc(-c2ccc(C)s2)n1.
What is the InChIKey of 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole?
The InChIKey is VMLPQKTVXYWCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-5-8-21(29-16)22-24-18(14-28-22)13-27-19-7-6-17(12-20(19)26-2)4-3-10-25-11-9-23-15-25/h5-9,11-12,14-15H,3-4,10,13H2,1-2H3.
What are the key properties of 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole?
4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole has a molecular weight of 409.51 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 22009601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).