2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide

C16H12N6O2S — CID 21214646

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H12N6O2S/c23-15(9-25-16-19-13-3-1-2-4-14(13)24-16)18-11-5-7-12(8-6-11)22-10-17-20-21-22/h1-8,10H,9H2,(H,18,23)
InChIKeyOLFSHHYOFRIMLB-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.53
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 21214646) has the molecular formula C16H12N6O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID21214646
Molecular FormulaC16H12N6O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H12N6O2S/c23-15(9-25-16-19-13-3-1-2-4-14(13)24-16)18-11-5-7-12(8-6-11)22-10-17-20-21-22/h1-8,10H,9H2,(H,18,23)
InChIKeyOLFSHHYOFRIMLB-UHFFFAOYSA-N
XLogP2.53
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 21214646) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(CSc1nc2ccccc2o1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is OLFSHHYOFRIMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S/c23-15(9-25-16-19-13-3-1-2-4-14(13)24-16)18-11-5-7-12(8-6-11)22-10-17-20-21-22/h1-8,10H,9H2,(H,18,23).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 352.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 21214646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).