2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole

C22H27N3O2 — CID 22009588

IUPAC2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole
SMILESc1cn(CCCc2ccc(OCc3coc(C4CCCCC4)n3)cc2)cn1
InChIInChI=1S/C22H27N3O2/c1-2-6-19(7-3-1)22-24-20(16-27-22)15-26-21-10-8-18(9-11-21)5-4-13-25-14-12-23-17-25/h8-12,14,16-17,19H,1-7,13,15H2
InChIKeyNTNVPKHCMRQCII-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.13
Rot. Bonds8

About 2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole

2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole (PubChem CID 22009588) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole
PubChem CID22009588
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole
SMILESc1cn(CCCc2ccc(OCc3coc(C4CCCCC4)n3)cc2)cn1
InChIInChI=1S/C22H27N3O2/c1-2-6-19(7-3-1)22-24-20(16-27-22)15-26-21-10-8-18(9-11-21)5-4-13-25-14-12-23-17-25/h8-12,14,16-17,19H,1-7,13,15H2
InChIKeyNTNVPKHCMRQCII-UHFFFAOYSA-N
XLogP5.13
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole
CID 22009780
4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(4-methylthiophen-2-yl)-1,3-oxazole
CID 22009852
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-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole
CID 22009726
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
[4-[4-[[3-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazol-2-yl]phenyl]-phenylmethanone
CID 22009790
4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole
CID 22009601
4-[[2-chloro-4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole
CID 22009593
1-[3-[4-(azetidin-1-ylmethyl)phenoxy]propyl]imidazole
CID 77085814
2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030067
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole (CID 22009588) is 2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole is c1cn(CCCc2ccc(OCc3coc(C4CCCCC4)n3)cc2)cn1.
What is the InChIKey of 2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole?
The InChIKey is NTNVPKHCMRQCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-6-19(7-3-1)22-24-20(16-27-22)15-26-21-10-8-18(9-11-21)5-4-13-25-14-12-23-17-25/h8-12,14,16-17,19H,1-7,13,15H2.
What are the key properties of 2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole?
2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole has a molecular weight of 365.48 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 22009588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).