5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide

C19H10F2N4O2 — CID 162444755

IUPAC5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1cccc(-c2cc(C(=O)Nc3c[nH]c4cc(F)c(F)cc34)no2)c1
InChIInChI=1S/C19H10F2N4O2/c20-13-5-12-15(6-14(13)21)23-9-17(12)24-19(26)16-7-18(27-25-16)11-3-1-2-10(4-11)8-22/h1-7,9,23H,(H,24,26)
InChIKeyZGZMHHAFBZRLPW-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.23
Rot. Bonds3

About 5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide

5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 162444755) has the molecular formula C19H10F2N4O2 and a molecular weight of 364.31 g/mol. Its IUPAC name is 5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID162444755
Molecular FormulaC19H10F2N4O2
Molecular Weight364.31 g/mol
Exact Mass364.08
IUPAC Name5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1cccc(-c2cc(C(=O)Nc3c[nH]c4cc(F)c(F)cc34)no2)c1
InChIInChI=1S/C19H10F2N4O2/c20-13-5-12-15(6-14(13)21)23-9-17(12)24-19(26)16-7-18(27-25-16)11-3-1-2-10(4-11)8-22/h1-7,9,23H,(H,24,26)
InChIKeyZGZMHHAFBZRLPW-UHFFFAOYSA-N
XLogP4.23
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide (CID 162444755) is 5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide is N#Cc1cccc(-c2cc(C(=O)Nc3c[nH]c4cc(F)c(F)cc34)no2)c1.
What is the InChIKey of 5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZGZMHHAFBZRLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F2N4O2/c20-13-5-12-15(6-14(13)21)23-9-17(12)24-19(26)16-7-18(27-25-16)11-3-1-2-10(4-11)8-22/h1-7,9,23H,(H,24,26).
What are the key properties of 5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide?
5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 364.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenyl)-N-(5,6-difluoro-1H-indol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162444755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).