4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole

C13H12FN5OS — CID 24668922

IUPAC4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
SMILESCCn1nnnc1SCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H12FN5OS/c1-2-19-13(16-17-18-19)21-8-11-7-20-12(15-11)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3
InChIKeyGHJZTBIEQCJFIP-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.78
Rot. Bonds5

About 4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole

4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole (PubChem CID 24668922) has the molecular formula C13H12FN5OS and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
PubChem CID24668922
Molecular FormulaC13H12FN5OS
Molecular Weight305.34 g/mol
Exact Mass305.07
IUPAC Name4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
SMILESCCn1nnnc1SCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H12FN5OS/c1-2-19-13(16-17-18-19)21-8-11-7-20-12(15-11)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3
InChIKeyGHJZTBIEQCJFIP-UHFFFAOYSA-N
XLogP2.78
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 24667836
4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 31825741
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666094
4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 78845847
2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 36987849
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 24666683
2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 33278936
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
CID 66114740
5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine
CID 43301701
2-(4-fluorophenyl)-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 46458739
2-(2,4-dimethylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 24675499

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole (CID 24668922) is 4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole is CCn1nnnc1SCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is GHJZTBIEQCJFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5OS/c1-2-19-13(16-17-18-19)21-8-11-7-20-12(15-11)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3.
What are the key properties of 4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole?
4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 305.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 24668922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).