2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide

C18H10ClN5O2 — CID 155574984

IUPAC2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3[nH]nc(-c4cnco4)c3c2)c1Cl
InChIInChI=1S/C18H10ClN5O2/c19-16-10(7-20)2-1-3-12(16)18(25)22-11-4-5-14-13(6-11)17(24-23-14)15-8-21-9-26-15/h1-6,8-9H,(H,22,25)(H,23,24)
InChIKeyIYWJIDQDKVWAGX-UHFFFAOYSA-N
MW363.76 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide

2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide (PubChem CID 155574984) has the molecular formula C18H10ClN5O2 and a molecular weight of 363.76 g/mol. Its IUPAC name is 2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide
PubChem CID155574984
Molecular FormulaC18H10ClN5O2
Molecular Weight363.76 g/mol
Exact Mass363.05
IUPAC Name2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3[nH]nc(-c4cnco4)c3c2)c1Cl
InChIInChI=1S/C18H10ClN5O2/c19-16-10(7-20)2-1-3-12(16)18(25)22-11-4-5-14-13(6-11)17(24-23-14)15-8-21-9-26-15/h1-6,8-9H,(H,22,25)(H,23,24)
InChIKeyIYWJIDQDKVWAGX-UHFFFAOYSA-N
XLogP4.00
TPSA107.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide?
The IUPAC name of 2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide (CID 155574984) is 2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide is N#Cc1cccc(C(=O)Nc2ccc3[nH]nc(-c4cnco4)c3c2)c1Cl.
What is the InChIKey of 2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide?
The InChIKey is IYWJIDQDKVWAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClN5O2/c19-16-10(7-20)2-1-3-12(16)18(25)22-11-4-5-14-13(6-11)17(24-23-14)15-8-21-9-26-15/h1-6,8-9H,(H,22,25)(H,23,24).
What are the key properties of 2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide?
2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide has a molecular weight of 363.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-cyano-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]benzamide is sourced from PubChem (CID 155574984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).