2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

C18H15N5O2 — CID 49423848

IUPAC2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3noc4ccccc34)cc2)n[nH]1
InChIInChI=1S/C18H15N5O2/c1-11-19-18(22-21-11)12-6-8-13(9-7-12)20-17(24)10-15-14-4-2-3-5-16(14)25-23-15/h2-9H,10H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyGFFBNTNJUDIINC-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.10
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 49423848) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID49423848
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3noc4ccccc34)cc2)n[nH]1
InChIInChI=1S/C18H15N5O2/c1-11-19-18(22-21-11)12-6-8-13(9-7-12)20-17(24)10-15-14-4-2-3-5-16(14)25-23-15/h2-9H,10H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyGFFBNTNJUDIINC-UHFFFAOYSA-N
XLogP3.10
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (CID 49423848) is 2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is Cc1nc(-c2ccc(NC(=O)Cc3noc4ccccc34)cc2)n[nH]1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is GFFBNTNJUDIINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-19-18(22-21-11)12-6-8-13(9-7-12)20-17(24)10-15-14-4-2-3-5-16(14)25-23-15/h2-9H,10H2,1H3,(H,20,24)(H,19,21,22).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 333.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 49423848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).