5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

C17H19FN6OS — CID 46515894

IUPAC5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1F
InChIInChI=1S/C17H19FN6OS/c1-11-7-8-12(9-14(11)18)16-19-15(25-21-16)10-26-17-20-22-23-24(17)13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3
InChIKeyKQRURXZFEMYBST-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.97
Rot. Bonds5

About 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 46515894) has the molecular formula C17H19FN6OS and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID46515894
Molecular FormulaC17H19FN6OS
Molecular Weight374.45 g/mol
Exact Mass374.13
IUPAC Name5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1F
InChIInChI=1S/C17H19FN6OS/c1-11-7-8-12(9-14(11)18)16-19-15(25-21-16)10-26-17-20-22-23-24(17)13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3
InChIKeyKQRURXZFEMYBST-UHFFFAOYSA-N
XLogP3.97
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 71943476
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32654652
3-(3-bromophenyl)-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9465562
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154142
5-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2917256
N,N-diethyl-4-[5-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline
CID 55509665
3-(3-fluoro-4-methylphenyl)-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 17473041
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 51244846
5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32617160
N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide
CID 60542044
3-(4-chlorophenyl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 8515136
5-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 74627392

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole (CID 46515894) is 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1F.
What is the InChIKey of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is KQRURXZFEMYBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6OS/c1-11-7-8-12(9-14(11)18)16-19-15(25-21-16)10-26-17-20-22-23-24(17)13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3.
What are the key properties of 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 374.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46515894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).