4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole

C15H17N3O — CID 172723612

IUPAC4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C1=CN(Cc2ccccc2)CN1
InChIInChI=1S/C15H17N3O/c1-11-15(12(2)19-17-11)14-9-18(10-16-14)8-13-6-4-3-5-7-13/h3-7,9,16H,8,10H2,1-2H3
InChIKeyGVRBZVLSHMTSJP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.65
Rot. Bonds3

About 4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole

4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 172723612) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID172723612
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C1=CN(Cc2ccccc2)CN1
InChIInChI=1S/C15H17N3O/c1-11-15(12(2)19-17-11)14-9-18(10-16-14)8-13-6-4-3-5-7-13/h3-7,9,16H,8,10H2,1-2H3
InChIKeyGVRBZVLSHMTSJP-UHFFFAOYSA-N
XLogP2.65
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole (CID 172723612) is 4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1C1=CN(Cc2ccccc2)CN1.
What is the InChIKey of 4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is GVRBZVLSHMTSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-15(12(2)19-17-11)14-9-18(10-16-14)8-13-6-4-3-5-7-13/h3-7,9,16H,8,10H2,1-2H3.
What are the key properties of 4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 255.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1,2-dihydroimidazol-5-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 172723612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).