2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

C9H11N3O2S — CID 99825795

IUPAC2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2nc(C)co2)o1
InChIInChI=1S/C9H11N3O2S/c1-3-7-11-12-8(14-7)5-15-9-10-6(2)4-13-9/h4H,3,5H2,1-2H3
InChIKeyNMPSEXVSCCRCMR-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.22
Rot. Bonds4

About 2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 99825795) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID99825795
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2nc(C)co2)o1
InChIInChI=1S/C9H11N3O2S/c1-3-7-11-12-8(14-7)5-15-9-10-6(2)4-13-9/h4H,3,5H2,1-2H3
InChIKeyNMPSEXVSCCRCMR-UHFFFAOYSA-N
XLogP2.22
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 99825795) is 2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is CCc1nnc(CSc2nc(C)co2)o1.
What is the InChIKey of 2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is NMPSEXVSCCRCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-3-7-11-12-8(14-7)5-15-9-10-6(2)4-13-9/h4H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 225.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 99825795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).