4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole

C20H18FN3O2 — CID 155561786

IUPAC4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2cnn(Cc3ccc(F)cc3)c2cc1-c1c(C)noc1C
InChIInChI=1S/C20H18FN3O2/c1-12-20(13(2)26-23-12)17-9-18-15(8-19(17)25-3)10-22-24(18)11-14-4-6-16(21)7-5-14/h4-10H,11H2,1-3H3
InChIKeyOHATVSUUVWNVDX-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.50
Rot. Bonds4

About 4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 155561786) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID155561786
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2cnn(Cc3ccc(F)cc3)c2cc1-c1c(C)noc1C
InChIInChI=1S/C20H18FN3O2/c1-12-20(13(2)26-23-12)17-9-18-15(8-19(17)25-3)10-22-24(18)11-14-4-6-16(21)7-5-14/h4-10H,11H2,1-3H3
InChIKeyOHATVSUUVWNVDX-UHFFFAOYSA-N
XLogP4.50
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Cyclopropyl-5-Methyl-1h-Pyrazol-4-Yl)-7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-8-Methoxy-5h-Pyrido[4,3-B]indole
CID 77846025
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78322398
4-[8-methoxy-1-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78322399
4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90387575
4-[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90387666
4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90388035
4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90388486
4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethylisoxazole
CID 90388552
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide
CID 70681170
4-[1-(5-ethyl-3-phenyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 122178997
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluorophenyl)-6-methoxyquinolin-4-amine
CID 71462842
US9675697, Cpd. No. 3
CID 78322715

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole (CID 155561786) is 4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2cnn(Cc3ccc(F)cc3)c2cc1-c1c(C)noc1C.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is OHATVSUUVWNVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12-20(13(2)26-23-12)17-9-18-15(8-19(17)25-3)10-22-24(18)11-14-4-6-16(21)7-5-14/h4-10H,11H2,1-3H3.
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 351.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]-5-methoxyindazol-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 155561786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).