2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C21H21N3O3 — CID 24745290

IUPAC2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc2nncc(-c3cccc(C4=NC(C)(C)CO4)c3)c2cc1OC
InChIInChI=1S/C21H21N3O3/c1-21(2)12-27-20(23-21)14-7-5-6-13(8-14)16-11-22-24-17-10-19(26-4)18(25-3)9-15(16)17/h5-11H,12H2,1-4H3
InChIKeyWXXQIOJIGJBPMV-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.87
Rot. Bonds4

About 2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 24745290) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID24745290
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cc2nncc(-c3cccc(C4=NC(C)(C)CO4)c3)c2cc1OC
InChIInChI=1S/C21H21N3O3/c1-21(2)12-27-20(23-21)14-7-5-6-13(8-14)16-11-22-24-17-10-19(26-4)18(25-3)9-15(16)17/h5-11H,12H2,1-4H3
InChIKeyWXXQIOJIGJBPMV-UHFFFAOYSA-N
XLogP3.87
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline
CID 24745292
5-(6,7-dimethoxycinnolin-4-yl)pyridin-2-amine
CID 57395734
N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide
CID 59026374
2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250578
4-(1-benzylpyrazol-4-yl)-6,7-dimethoxycinnoline
CID 11624384
4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline
CID 59009061
2-(4-methoxy-3-pentoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 19363243
6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid
CID 162150119
2-(3,4-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 12872558
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 57393977
2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 122386748

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 24745290) is 2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is COc1cc2nncc(-c3cccc(C4=NC(C)(C)CO4)c3)c2cc1OC.
What is the InChIKey of 2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is WXXQIOJIGJBPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-21(2)12-27-20(23-21)14-7-5-6-13(8-14)16-11-22-24-17-10-19(26-4)18(25-3)9-15(16)17/h5-11H,12H2,1-4H3.
What are the key properties of 2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 363.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dimethoxycinnolin-4-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 24745290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).