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

C15H10FN5O2S — CID 31781728

IUPAC1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
SMILESO=c1n(Cc2coc(-c3ccc(F)cc3)n2)nnn1-c1cccs1
InChIInChI=1S/C15H10FN5O2S/c16-11-5-3-10(4-6-11)14-17-12(9-23-14)8-20-15(22)21(19-18-20)13-2-1-7-24-13/h1-7,9H,8H2
InChIKeyBWSASTPZKYRMPZ-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.33
Rot. Bonds4

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

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one (PubChem CID 31781728) has the molecular formula C15H10FN5O2S and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
PubChem CID31781728
Molecular FormulaC15H10FN5O2S
Molecular Weight343.34 g/mol
Exact Mass343.05
IUPAC Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
SMILESO=c1n(Cc2coc(-c3ccc(F)cc3)n2)nnn1-c1cccs1
InChIInChI=1S/C15H10FN5O2S/c16-11-5-3-10(4-6-11)14-17-12(9-23-14)8-20-15(22)21(19-18-20)13-2-1-7-24-13/h1-7,9H,8H2
InChIKeyBWSASTPZKYRMPZ-UHFFFAOYSA-N
XLogP2.33
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one?
The IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one (CID 31781728) is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one is O=c1n(Cc2coc(-c3ccc(F)cc3)n2)nnn1-c1cccs1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one?
The InChIKey is BWSASTPZKYRMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O2S/c16-11-5-3-10(4-6-11)14-17-12(9-23-14)8-20-15(22)21(19-18-20)13-2-1-7-24-13/h1-7,9H,8H2.
What are the key properties of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one?
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one has a molecular weight of 343.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one is sourced from PubChem (CID 31781728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).