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

C21H16F2N4O3 — CID 72628020

IUPAC3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ncco2)ccc2[nH]nc(C=Cc3ccc(F)c(F)c3)c12
InChIInChI=1S/C21H16F2N4O3/c1-29-20-13(21(28)25-11-18-24-8-9-30-18)4-7-17-19(20)16(26-27-17)6-3-12-2-5-14(22)15(23)10-12/h2-10H,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyZLYAQDQIOZNQLQ-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.94
Rot. Bonds6

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

3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72628020) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72628020
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ncco2)ccc2[nH]nc(C=Cc3ccc(F)c(F)c3)c12
InChIInChI=1S/C21H16F2N4O3/c1-29-20-13(21(28)25-11-18-24-8-9-30-18)4-7-17-19(20)16(26-27-17)6-3-12-2-5-14(22)15(23)10-12/h2-10H,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyZLYAQDQIOZNQLQ-UHFFFAOYSA-N
XLogP3.94
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72628020) is 3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ncco2)ccc2[nH]nc(C=Cc3ccc(F)c(F)c3)c12.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is ZLYAQDQIOZNQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c1-29-20-13(21(28)25-11-18-24-8-9-30-18)4-7-17-19(20)16(26-27-17)6-3-12-2-5-14(22)15(23)10-12/h2-10H,11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 410.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).