2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole

C16H13N5OS — CID 46435086

IUPAC2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
SMILESCC(Sc1nc2ccccc2o1)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H13N5OS/c1-11(23-16-17-13-9-5-6-10-14(13)22-16)15-18-19-20-21(15)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyGSBAHTJNDXRPAA-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.66
Rot. Bonds4

About 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole

2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole (PubChem CID 46435086) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
PubChem CID46435086
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
SMILESCC(Sc1nc2ccccc2o1)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H13N5OS/c1-11(23-16-17-13-9-5-6-10-14(13)22-16)15-18-19-20-21(15)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyGSBAHTJNDXRPAA-UHFFFAOYSA-N
XLogP3.66
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole (CID 46435086) is 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole is CC(Sc1nc2ccccc2o1)c1nnnn1-c1ccccc1.
What is the InChIKey of 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole?
The InChIKey is GSBAHTJNDXRPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-11(23-16-17-13-9-5-6-10-14(13)22-16)15-18-19-20-21(15)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole?
2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole has a molecular weight of 323.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 46435086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).