5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole

C11H10N4OS — CID 86816468

IUPAC5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole
SMILESCc1oc(-c2ccsc2)nc1Cn1ccnn1
InChIInChI=1S/C11H10N4OS/c1-8-10(6-15-4-3-12-14-15)13-11(16-8)9-2-5-17-7-9/h2-5,7H,6H2,1H3
InChIKeyGHZKXHCOIHTLOK-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.35
Rot. Bonds3

About 5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole

5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole (PubChem CID 86816468) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole
PubChem CID86816468
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole
SMILESCc1oc(-c2ccsc2)nc1Cn1ccnn1
InChIInChI=1S/C11H10N4OS/c1-8-10(6-15-4-3-12-14-15)13-11(16-8)9-2-5-17-7-9/h2-5,7H,6H2,1H3
InChIKeyGHZKXHCOIHTLOK-UHFFFAOYSA-N
XLogP2.35
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole (CID 86816468) is 5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole is Cc1oc(-c2ccsc2)nc1Cn1ccnn1.
What is the InChIKey of 5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole?
The InChIKey is GHZKXHCOIHTLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-8-10(6-15-4-3-12-14-15)13-11(16-8)9-2-5-17-7-9/h2-5,7H,6H2,1H3.
What are the key properties of 5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole?
5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole has a molecular weight of 246.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 86816468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).