2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide

C17H14N4O2 — CID 75439941

IUPAC2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide
SMILESCc1[nH]nc2cc(NC(=O)Cc3noc4ccccc34)ccc12
InChIInChI=1S/C17H14N4O2/c1-10-12-7-6-11(8-14(12)20-19-10)18-17(22)9-15-13-4-2-3-5-16(13)23-21-15/h2-8H,9H2,1H3,(H,18,22)(H,19,20)
InChIKeyRWAMQFSXDVWECW-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.19
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide (PubChem CID 75439941) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide
PubChem CID75439941
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide
SMILESCc1[nH]nc2cc(NC(=O)Cc3noc4ccccc34)ccc12
InChIInChI=1S/C17H14N4O2/c1-10-12-7-6-11(8-14(12)20-19-10)18-17(22)9-15-13-4-2-3-5-16(13)23-21-15/h2-8H,9H2,1H3,(H,18,22)(H,19,20)
InChIKeyRWAMQFSXDVWECW-UHFFFAOYSA-N
XLogP3.19
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide (CID 75439941) is 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide is Cc1[nH]nc2cc(NC(=O)Cc3noc4ccccc34)ccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide?
The InChIKey is RWAMQFSXDVWECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10-12-7-6-11(8-14(12)20-19-10)18-17(22)9-15-13-4-2-3-5-16(13)23-21-15/h2-8H,9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide has a molecular weight of 306.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2H-indazol-6-yl)acetamide is sourced from PubChem (CID 75439941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).