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

C23H18N4O2 — CID 135424650

IUPAC3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1cc(-c2cn[nH]c2-c2ccc(OCc3ccc4ccccc4n3)cc2)on1
InChIInChI=1S/C23H18N4O2/c1-15-12-22(29-27-15)20-13-24-26-23(20)17-7-10-19(11-8-17)28-14-18-9-6-16-4-2-3-5-21(16)25-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyJUQJCAMVXDQFCM-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.17
Rot. Bonds5

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

3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole (PubChem CID 135424650) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole
PubChem CID135424650
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1cc(-c2cn[nH]c2-c2ccc(OCc3ccc4ccccc4n3)cc2)on1
InChIInChI=1S/C23H18N4O2/c1-15-12-22(29-27-15)20-13-24-26-23(20)17-7-10-19(11-8-17)28-14-18-9-6-16-4-2-3-5-21(16)25-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyJUQJCAMVXDQFCM-UHFFFAOYSA-N
XLogP5.17
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole (CID 135424650) is 3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole is Cc1cc(-c2cn[nH]c2-c2ccc(OCc3ccc4ccccc4n3)cc2)on1.
What is the InChIKey of 3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole?
The InChIKey is JUQJCAMVXDQFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-15-12-22(29-27-15)20-13-24-26-23(20)17-7-10-19(11-8-17)28-14-18-9-6-16-4-2-3-5-21(16)25-18/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole?
3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole has a molecular weight of 382.42 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 135424650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).