2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C15H17N3O — CID 24825519

IUPAC2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Cc3cnc[nH]3)cc2)=N1
InChIInChI=1S/C15H17N3O/c1-15(2)9-19-14(18-15)12-5-3-11(4-6-12)7-13-8-16-10-17-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
InChIKeyNSUJUQRJDQTZEV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.56
Rot. Bonds3

About 2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 24825519) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID24825519
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Cc3cnc[nH]3)cc2)=N1
InChIInChI=1S/C15H17N3O/c1-15(2)9-19-14(18-15)12-5-3-11(4-6-12)7-13-8-16-10-17-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
InChIKeyNSUJUQRJDQTZEV-UHFFFAOYSA-N
XLogP2.56
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 24825519) is 2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(Cc3cnc[nH]3)cc2)=N1.
What is the InChIKey of 2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is NSUJUQRJDQTZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2)9-19-14(18-15)12-5-3-11(4-6-12)7-13-8-16-10-17-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 255.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-5-ylmethyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 24825519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).