2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H14N6O2S — CID 648828

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nnnn2Cc2ccccc2)no1
InChIInChI=1S/C14H14N6O2S/c1-10-7-12(17-22-10)15-13(21)9-23-14-16-18-19-20(14)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,17,21)
InChIKeyNCIBVZRYQCJOOS-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.75
Rot. Bonds6

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 648828) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID648828
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nnnn2Cc2ccccc2)no1
InChIInChI=1S/C14H14N6O2S/c1-10-7-12(17-22-10)15-13(21)9-23-14-16-18-19-20(14)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,17,21)
InChIKeyNCIBVZRYQCJOOS-UHFFFAOYSA-N
XLogP1.75
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 648828) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nnnn2Cc2ccccc2)no1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is NCIBVZRYQCJOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-10-7-12(17-22-10)15-13(21)9-23-14-16-18-19-20(14)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,17,21).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 330.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 648828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).