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

C12H10FN5O — CID 7630692

IUPAC3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2nnc(-c3ccc(F)cc3)n2)no1
InChIInChI=1S/C12H10FN5O/c1-8-6-11(16-19-8)7-18-15-12(14-17-18)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
InChIKeyKXBHWJVRTXSNKV-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.82
Rot. Bonds3

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

3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 7630692) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID7630692
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2nnc(-c3ccc(F)cc3)n2)no1
InChIInChI=1S/C12H10FN5O/c1-8-6-11(16-19-8)7-18-15-12(14-17-18)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
InChIKeyKXBHWJVRTXSNKV-UHFFFAOYSA-N
XLogP1.82
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

3,5-Dimethyl-4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8002350
3-methyl-5-(5-methylisoxazol-3-yl)-1-(2-phenylethyl)-1H-1,2,4-triazole
CID 72863899
5-Methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 7630479
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 856763
4-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 7465888
3-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
CID 8598166
5-(4-Fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole
CID 8598247
5-Phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8681650
5-(4-Fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8681746
5-(4-Fluorophenyl)-4-methyl-3-[(5-phenyltetrazol-2-yl)methyl]-1,2-oxazole
CID 8685078
5-(4-Fluorophenyl)-4-methyl-3-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 8685485
4-[2-[[5-(4-Fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]tetrazol-5-yl]benzamide
CID 8996570

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole (CID 7630692) is 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(Cn2nnc(-c3ccc(F)cc3)n2)no1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is KXBHWJVRTXSNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-8-6-11(16-19-8)7-18-15-12(14-17-18)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3.
What are the key properties of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole?
3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 259.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 7630692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).