N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide

C19H21N5O2 — CID 50779159

IUPACN-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(C)NC(=O)c1cccc(-c2noc(-c3n[nH]c4c3CCCC4)n2)c1
InChIInChI=1S/C19H21N5O2/c1-11(2)20-18(25)13-7-5-6-12(10-13)17-21-19(26-24-17)16-14-8-3-4-9-15(14)22-23-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyVQXLPDBSSDOBOG-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.14
Rot. Bonds4

About N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide

N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 50779159) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID50779159
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(C)NC(=O)c1cccc(-c2noc(-c3n[nH]c4c3CCCC4)n2)c1
InChIInChI=1S/C19H21N5O2/c1-11(2)20-18(25)13-7-5-6-12(10-13)17-21-19(26-24-17)16-14-8-3-4-9-15(14)22-23-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyVQXLPDBSSDOBOG-UHFFFAOYSA-N
XLogP3.14
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide (CID 50779159) is N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide is CC(C)NC(=O)c1cccc(-c2noc(-c3n[nH]c4c3CCCC4)n2)c1.
What is the InChIKey of N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is VQXLPDBSSDOBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11(2)20-18(25)13-7-5-6-12(10-13)17-21-19(26-24-17)16-14-8-3-4-9-15(14)22-23-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,20,25)(H,22,23).
What are the key properties of N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide?
N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 50779159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).