2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole

C20H19N3O — CID 21334429

IUPAC2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole
SMILESCCc1oc(-c2nn(Cc3ccccc3)c3ccccc23)nc1C
InChIInChI=1S/C20H19N3O/c1-3-18-14(2)21-20(24-18)19-16-11-7-8-12-17(16)23(22-19)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyIIXKZBOKCBZBCW-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.61
Rot. Bonds4

About 2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole

2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole (PubChem CID 21334429) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole
PubChem CID21334429
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole
SMILESCCc1oc(-c2nn(Cc3ccccc3)c3ccccc23)nc1C
InChIInChI=1S/C20H19N3O/c1-3-18-14(2)21-20(24-18)19-16-11-7-8-12-17(16)23(22-19)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyIIXKZBOKCBZBCW-UHFFFAOYSA-N
XLogP4.61
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol
CID 18416669
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637062
1-benzyl-3-[5-(nitrosomethyl)furan-2-yl]indazole
CID 91123404
sodium 1-benzylindazol-3-olate
CID 23691647
[2-(1-benzylindazol-3-yl)furan-3-yl]methanamine
CID 22465028
1-benzyl-6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridine
CID 141188146
[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 21334457
2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 141467468
[4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol
CID 21106955
5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 21334392
1-benzyl-3-(2-phenylethynyl)indazole
CID 25222067

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole (CID 21334429) is 2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole is CCc1oc(-c2nn(Cc3ccccc3)c3ccccc23)nc1C.
What is the InChIKey of 2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole?
The InChIKey is IIXKZBOKCBZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-3-18-14(2)21-20(24-18)19-16-11-7-8-12-17(16)23(22-19)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3.
What are the key properties of 2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole?
2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole has a molecular weight of 317.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 21334429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).