3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole

C25H22N4O2 — CID 50958962

IUPAC3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1c(-c2ccccc2)ncn1CCOc1cccc2cccnc12
InChIInChI=1S/C25H22N4O2/c1-17-22(18(2)31-28-17)25-24(20-8-4-3-5-9-20)27-16-29(25)14-15-30-21-12-6-10-19-11-7-13-26-23(19)21/h3-13,16H,14-15H2,1-2H3
InChIKeyJFANMJKUIZRSBZ-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.45
Rot. Bonds6

About 3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole

3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole (PubChem CID 50958962) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole
PubChem CID50958962
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1c(-c2ccccc2)ncn1CCOc1cccc2cccnc12
InChIInChI=1S/C25H22N4O2/c1-17-22(18(2)31-28-17)25-24(20-8-4-3-5-9-20)27-16-29(25)14-15-30-21-12-6-10-19-11-7-13-26-23(19)21/h3-13,16H,14-15H2,1-2H3
InChIKeyJFANMJKUIZRSBZ-UHFFFAOYSA-N
XLogP5.45
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole (CID 50958962) is 3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole is Cc1noc(C)c1-c1c(-c2ccccc2)ncn1CCOc1cccc2cccnc12.
What is the InChIKey of 3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole?
The InChIKey is JFANMJKUIZRSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-22(18(2)31-28-17)25-24(20-8-4-3-5-9-20)27-16-29(25)14-15-30-21-12-6-10-19-11-7-13-26-23(19)21/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole?
3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole has a molecular weight of 410.48 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[5-phenyl-3-(2-quinolin-8-yloxyethyl)imidazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 50958962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).