3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide

C21H17FN4O3 — CID 72628180

IUPAC3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ncco2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12
InChIInChI=1S/C21H17FN4O3/c1-28-20-15(21(27)24-12-18-23-10-11-29-18)7-9-17-19(20)16(25-26-17)8-4-13-2-5-14(22)6-3-13/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyUCFUPKLESXRERV-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.80
Rot. Bonds6

About 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide

3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72628180) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72628180
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ncco2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12
InChIInChI=1S/C21H17FN4O3/c1-28-20-15(21(27)24-12-18-23-10-11-29-18)7-9-17-19(20)16(25-26-17)8-4-13-2-5-14(22)6-3-13/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyUCFUPKLESXRERV-UHFFFAOYSA-N
XLogP3.80
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72628180) is 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ncco2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is UCFUPKLESXRERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-28-20-15(21(27)24-12-18-23-10-11-29-18)7-9-17-19(20)16(25-26-17)8-4-13-2-5-14(22)6-3-13/h2-11H,12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).