3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole

C13H18N6O2S — CID 56781345

IUPAC3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
SMILESCC(Sc1nnnn1C1CCOCC1)c1nc(C2CC2)no1
InChIInChI=1S/C13H18N6O2S/c1-8(12-14-11(16-21-12)9-2-3-9)22-13-15-17-18-19(13)10-4-6-20-7-5-10/h8-10H,2-7H2,1H3
InChIKeyRQKUOKNSGTUCJV-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.14
Rot. Bonds5

About 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole (PubChem CID 56781345) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
PubChem CID56781345
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC Name3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
SMILESCC(Sc1nnnn1C1CCOCC1)c1nc(C2CC2)no1
InChIInChI=1S/C13H18N6O2S/c1-8(12-14-11(16-21-12)9-2-3-9)22-13-15-17-18-19(13)10-4-6-20-7-5-10/h8-10H,2-7H2,1H3
InChIKeyRQKUOKNSGTUCJV-UHFFFAOYSA-N
XLogP2.14
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 94500022
3-(2-bromophenyl)-5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 55840323
[5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
CID 97099045
3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60514367
3-cyclopropyl-5-[1-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60513503
3-cyclopropyl-5-[1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 78900452
3-cyclopropyl-5-[1-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 87018076
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 47124356
3-cyclopropyl-5-[(1R)-1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 94477570
3-cyclopropyl-5-[1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60516195
3-cyclopropyl-5-[(1S)-1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 94477569

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole (CID 56781345) is 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole is CC(Sc1nnnn1C1CCOCC1)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
The InChIKey is RQKUOKNSGTUCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-8(12-14-11(16-21-12)9-2-3-9)22-13-15-17-18-19(13)10-4-6-20-7-5-10/h8-10H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole has a molecular weight of 322.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56781345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).