3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole

C16H17N3O — CID 95469015

IUPAC3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccnc2[C@H](C)c2ccccc2)on1
InChIInChI=1S/C16H17N3O/c1-12-10-15(20-18-12)11-19-9-8-17-16(19)13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3/t13-/m1/s1
InChIKeySZOKOOWHTCYUKZ-CYBMUJFWSA-N
MW267.33 g/mol
LogP3.38
Rot. Bonds4

About 3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 95469015) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID95469015
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccnc2[C@H](C)c2ccccc2)on1
InChIInChI=1S/C16H17N3O/c1-12-10-15(20-18-12)11-19-9-8-17-16(19)13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3/t13-/m1/s1
InChIKeySZOKOOWHTCYUKZ-CYBMUJFWSA-N
XLogP3.38
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole (CID 95469015) is 3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole is Cc1cc(Cn2ccnc2[C@H](C)c2ccccc2)on1.
What is the InChIKey of 3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is SZOKOOWHTCYUKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-10-15(20-18-12)11-19-9-8-17-16(19)13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 267.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 95469015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).