2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole

C19H12N4O — CID 56772317

IUPAC2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole
SMILESc1ccc2c(-c3nc4ccc(-n5cnnc5)cc4o3)cccc2c1
InChIInChI=1S/C19H12N4O/c1-2-6-15-13(4-1)5-3-7-16(15)19-22-17-9-8-14(10-18(17)24-19)23-11-20-21-12-23/h1-12H
InChIKeyRTVUZIJQRGDMIS-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.23
Rot. Bonds2

About 2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole

2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole (PubChem CID 56772317) has the molecular formula C19H12N4O and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole
PubChem CID56772317
Molecular FormulaC19H12N4O
Molecular Weight312.33 g/mol
Exact Mass312.10
IUPAC Name2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole
SMILESc1ccc2c(-c3nc4ccc(-n5cnnc5)cc4o3)cccc2c1
InChIInChI=1S/C19H12N4O/c1-2-6-15-13(4-1)5-3-7-16(15)19-22-17-9-8-14(10-18(17)24-19)23-11-20-21-12-23/h1-12H
InChIKeyRTVUZIJQRGDMIS-UHFFFAOYSA-N
XLogP4.23
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole (CID 56772317) is 2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole is c1ccc2c(-c3nc4ccc(-n5cnnc5)cc4o3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole?
The InChIKey is RTVUZIJQRGDMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O/c1-2-6-15-13(4-1)5-3-7-16(15)19-22-17-9-8-14(10-18(17)24-19)23-11-20-21-12-23/h1-12H.
What are the key properties of 2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole?
2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole has a molecular weight of 312.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 56772317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).