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

C18H14FN5O2S — CID 33278936

IUPAC2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
SMILESCOc1ccc(-n2nnnc2SCc2coc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H14FN5O2S/c1-25-16-7-5-15(6-8-16)24-18(21-22-23-24)27-11-14-10-26-17(20-14)12-3-2-4-13(19)9-12/h2-10H,11H2,1H3
InChIKeyHRWFEHXJGAAFPR-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.76
Rot. Bonds6

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

2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole (PubChem CID 33278936) has the molecular formula C18H14FN5O2S and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
PubChem CID33278936
Molecular FormulaC18H14FN5O2S
Molecular Weight383.41 g/mol
Exact Mass383.09
IUPAC Name2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
SMILESCOc1ccc(-n2nnnc2SCc2coc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H14FN5O2S/c1-25-16-7-5-15(6-8-16)24-18(21-22-23-24)27-11-14-10-26-17(20-14)12-3-2-4-13(19)9-12/h2-10H,11H2,1H3
InChIKeyHRWFEHXJGAAFPR-UHFFFAOYSA-N
XLogP3.76
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 24667836
5-[2-(3-fluorophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole
CID 39530113
4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 24666683
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 46593532
2-(3-fluorophenyl)-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 33287348
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666094
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 33269817
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]aniline
CID 43299130
4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 33352859
4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 33345512
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole (CID 33278936) is 2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole is COc1ccc(-n2nnnc2SCc2coc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
The InChIKey is HRWFEHXJGAAFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2S/c1-25-16-7-5-15(6-8-16)24-18(21-22-23-24)27-11-14-10-26-17(20-14)12-3-2-4-13(19)9-12/h2-10H,11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole has a molecular weight of 383.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 33278936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).