N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide

C16H18N4O2 — CID 157011878

IUPACN-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide
SMILESCCc1noc(NC(=O)Cc2[nH]nc3ccccc23)c1CC
InChIInChI=1S/C16H18N4O2/c1-3-10-12(4-2)20-22-16(10)17-15(21)9-14-11-7-5-6-8-13(11)18-19-14/h5-8H,3-4,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyANWBUTDZFMYDCV-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.86
Rot. Bonds5

About N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide

N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide (PubChem CID 157011878) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide
PubChem CID157011878
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide
SMILESCCc1noc(NC(=O)Cc2[nH]nc3ccccc23)c1CC
InChIInChI=1S/C16H18N4O2/c1-3-10-12(4-2)20-22-16(10)17-15(21)9-14-11-7-5-6-8-13(11)18-19-14/h5-8H,3-4,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyANWBUTDZFMYDCV-UHFFFAOYSA-N
XLogP2.86
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide?
The IUPAC name of N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide (CID 157011878) is N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide?
The canonical SMILES for N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide is CCc1noc(NC(=O)Cc2[nH]nc3ccccc23)c1CC.
What is the InChIKey of N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide?
The InChIKey is ANWBUTDZFMYDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-10-12(4-2)20-22-16(10)17-15(21)9-14-11-7-5-6-8-13(11)18-19-14/h5-8H,3-4,9H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide?
N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide has a molecular weight of 298.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethyl-1,2-oxazol-5-yl)-2-(2H-indazol-3-yl)acetamide is sourced from PubChem (CID 157011878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).