3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole

C15H10FN7O — CID 154849324

IUPAC3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole
SMILESFc1ccc(-c2cc(Cn3nnc(-c4ccncn4)n3)on2)cc1
InChIInChI=1S/C15H10FN7O/c16-11-3-1-10(2-4-11)14-7-12(24-21-14)8-23-20-15(19-22-23)13-5-6-17-9-18-13/h1-7,9H,8H2
InChIKeyHDCSZHWMRLAVSI-UHFFFAOYSA-N
MW323.29 g/mol
LogP1.97
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole

3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole (PubChem CID 154849324) has the molecular formula C15H10FN7O and a molecular weight of 323.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole
PubChem CID154849324
Molecular FormulaC15H10FN7O
Molecular Weight323.29 g/mol
Exact Mass323.09
IUPAC Name3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole
SMILESFc1ccc(-c2cc(Cn3nnc(-c4ccncn4)n3)on2)cc1
InChIInChI=1S/C15H10FN7O/c16-11-3-1-10(2-4-11)14-7-12(24-21-14)8-23-20-15(19-22-23)13-5-6-17-9-18-13/h1-7,9H,8H2
InChIKeyHDCSZHWMRLAVSI-UHFFFAOYSA-N
XLogP1.97
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(((5-fluoro-2-(1-((2-fluorophenyl)methyl)-5-(3-isoxazolyl)-1H-pyrazol-3-yl)-4-pyrimidinyl)amino)methyl)-2-propanol
CID 86269973
Olinciguat
CID 90445883
3,5-Dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]isoxazole
CID 3011485
5-[3-(2,4-Bis-trifluoromethyl-phenyl)-isoxazol-5-ylmethyl]-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine
CID 25138344
3-(4-Chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole
CID 25204930
2-(2,3-Difluoro-phenyl)-5-[3-(4-trifluoromethyl-phenyl)-isoxazol-5-ylmethyl]-5H-imidazo[4,5-d]pyridazine
CID 46848900
5-[3-(4-Butyl-phenyl)-isoxazol-5-ylmethyl]-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine
CID 57616056
3-[2,4-Bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole
CID 57616066
5-{1-[3-(2,4-Bis-trifluoromethyl-phenyl)-isoxazol-5-yl]-ethyl}-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine
CID 57616067
2-(2,3-Difluoro-phenyl)-5-[3-(6-trifluoromethyl-pyridin-3-yl)-isoxazol-5-ylmethyl]-5H-imidazo[4,5-d]pyridazine
CID 57616084
2-(2,3-Difluoro-phenyl)-5-(3-p-tolyl-isoxazol-5-ylmethyl)-5H-imidazo[4,5-d]pyridazine
CID 57616106
2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1H-pyrazol-3-yl]-4-pyrimidinamine
CID 68642339

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole (CID 154849324) is 3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole is Fc1ccc(-c2cc(Cn3nnc(-c4ccncn4)n3)on2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole?
The InChIKey is HDCSZHWMRLAVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN7O/c16-11-3-1-10(2-4-11)14-7-12(24-21-14)8-23-20-15(19-22-23)13-5-6-17-9-18-13/h1-7,9H,8H2.
What are the key properties of 3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole?
3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole has a molecular weight of 323.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(5-pyrimidin-4-yltetrazol-2-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 154849324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).