1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one

C15H11N5O2S — CID 17423081

IUPAC1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one
SMILESO=c1n(Cc2cc(-c3cccs3)on2)nnn1-c1ccccc1
InChIInChI=1S/C15H11N5O2S/c21-15-19(17-18-20(15)12-5-2-1-3-6-12)10-11-9-13(22-16-11)14-7-4-8-23-14/h1-9H,10H2
InChIKeyLYZPHPNTKZXQFT-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.19
Rot. Bonds4

About 1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one

1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one (PubChem CID 17423081) has the molecular formula C15H11N5O2S and a molecular weight of 325.35 g/mol. Its IUPAC name is 1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one.

Molecular Properties

Compound Name1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one
PubChem CID17423081
Molecular FormulaC15H11N5O2S
Molecular Weight325.35 g/mol
Exact Mass325.06
IUPAC Name1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one
SMILESO=c1n(Cc2cc(-c3cccs3)on2)nnn1-c1ccccc1
InChIInChI=1S/C15H11N5O2S/c21-15-19(17-18-20(15)12-5-2-1-3-6-12)10-11-9-13(22-16-11)14-7-4-8-23-14/h1-9H,10H2
InChIKeyLYZPHPNTKZXQFT-UHFFFAOYSA-N
XLogP2.19
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one?
The IUPAC name of 1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one (CID 17423081) is 1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one.
What is the SMILES notation for 1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one?
The canonical SMILES for 1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one is O=c1n(Cc2cc(-c3cccs3)on2)nnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one?
The InChIKey is LYZPHPNTKZXQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2S/c21-15-19(17-18-20(15)12-5-2-1-3-6-12)10-11-9-13(22-16-11)14-7-4-8-23-14/h1-9H,10H2.
What are the key properties of 1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one?
1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one has a molecular weight of 325.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]tetrazol-5-one is sourced from PubChem (CID 17423081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).