3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole

C25H20N4O2 — CID 11668658

IUPAC3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(C)nc2-c2ccc(OCc3ccc4ccccc4n3)cc2)on1
InChIInChI=1S/C25H20N4O2/c1-16-13-24(31-29-16)22-14-26-17(2)27-25(22)19-8-11-21(12-9-19)30-15-20-10-7-18-5-3-4-6-23(18)28-20/h3-14H,15H2,1-2H3
InChIKeyRPYVFQPJTQCNIS-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.54
Rot. Bonds5

About 3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole

3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole (PubChem CID 11668658) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole
PubChem CID11668658
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(C)nc2-c2ccc(OCc3ccc4ccccc4n3)cc2)on1
InChIInChI=1S/C25H20N4O2/c1-16-13-24(31-29-16)22-14-26-17(2)27-25(22)19-8-11-21(12-9-19)30-15-20-10-7-18-5-3-4-6-23(18)28-20/h3-14H,15H2,1-2H3
InChIKeyRPYVFQPJTQCNIS-UHFFFAOYSA-N
XLogP5.54
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole (CID 11668658) is 3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole is Cc1cc(-c2cnc(C)nc2-c2ccc(OCc3ccc4ccccc4n3)cc2)on1.
What is the InChIKey of 3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole?
The InChIKey is RPYVFQPJTQCNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-16-13-24(31-29-16)22-14-26-17(2)27-25(22)19-8-11-21(12-9-19)30-15-20-10-7-18-5-3-4-6-23(18)28-20/h3-14H,15H2,1-2H3.
What are the key properties of 3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole?
3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole has a molecular weight of 408.46 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole is sourced from PubChem (CID 11668658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).