2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole

C17H14N4O2S — CID 9321160

IUPAC2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole
SMILESCOc1ccccc1-n1cnnc1SCc1nc2ccccc2o1
InChIInChI=1S/C17H14N4O2S/c1-22-15-9-5-3-7-13(15)21-11-18-20-17(21)24-10-16-19-12-6-2-4-8-14(12)23-16/h2-9,11H,10H2,1H3
InChIKeyYPRWRCAKRIADOF-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.71
Rot. Bonds5

About 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole

2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole (PubChem CID 9321160) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole
PubChem CID9321160
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole
SMILESCOc1ccccc1-n1cnnc1SCc1nc2ccccc2o1
InChIInChI=1S/C17H14N4O2S/c1-22-15-9-5-3-7-13(15)21-11-18-20-17(21)24-10-16-19-12-6-2-4-8-14(12)23-16/h2-9,11H,10H2,1H3
InChIKeyYPRWRCAKRIADOF-UHFFFAOYSA-N
XLogP3.71
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole?
The IUPAC name of 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole (CID 9321160) is 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole is COc1ccccc1-n1cnnc1SCc1nc2ccccc2o1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole?
The InChIKey is YPRWRCAKRIADOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-22-15-9-5-3-7-13(15)21-11-18-20-17(21)24-10-16-19-12-6-2-4-8-14(12)23-16/h2-9,11H,10H2,1H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole?
2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole has a molecular weight of 338.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole is sourced from PubChem (CID 9321160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).