2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole

C8H9N5OS — CID 167768919

IUPAC2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole
SMILESc1nc(C2CC2)oc1CSc1nn[nH]n1
InChIInChI=1S/C8H9N5OS/c1-2-5(1)7-9-3-6(14-7)4-15-8-10-12-13-11-8/h3,5H,1-2,4H2,(H,10,11,12,13)
InChIKeyZGHOPJKAJYYQSF-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.36
Rot. Bonds4

About 2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole

2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole (PubChem CID 167768919) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole
PubChem CID167768919
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole
SMILESc1nc(C2CC2)oc1CSc1nn[nH]n1
InChIInChI=1S/C8H9N5OS/c1-2-5(1)7-9-3-6(14-7)4-15-8-10-12-13-11-8/h3,5H,1-2,4H2,(H,10,11,12,13)
InChIKeyZGHOPJKAJYYQSF-UHFFFAOYSA-N
XLogP1.36
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 126830146
5-cyclopropyl-N-[(E)-(2-cyclopropyl-1,3-oxazol-5-yl)methylideneamino]-1,3,4-thiadiazol-2-amine
CID 166246923

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole (CID 167768919) is 2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole is c1nc(C2CC2)oc1CSc1nn[nH]n1.
What is the InChIKey of 2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole?
The InChIKey is ZGHOPJKAJYYQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-2-5(1)7-9-3-6(14-7)4-15-8-10-12-13-11-8/h3,5H,1-2,4H2,(H,10,11,12,13).
What are the key properties of 2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole?
2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole has a molecular weight of 223.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 167768919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).