4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole

C9H10N2OS — CID 58415714

IUPAC4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESCC(C)c1conc1-c1nccs1
InChIInChI=1S/C9H10N2OS/c1-6(2)7-5-12-11-8(7)9-10-3-4-13-9/h3-6H,1-2H3
InChIKeyDVCJYSGTVLPOLD-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.92
Rot. Bonds2

About 4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole

4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole (PubChem CID 58415714) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole
PubChem CID58415714
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESCC(C)c1conc1-c1nccs1
InChIInChI=1S/C9H10N2OS/c1-6(2)7-5-12-11-8(7)9-10-3-4-13-9/h3-6H,1-2H3
InChIKeyDVCJYSGTVLPOLD-UHFFFAOYSA-N
XLogP2.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole?
The IUPAC name of 4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole (CID 58415714) is 4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole?
The canonical SMILES for 4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole is CC(C)c1conc1-c1nccs1.
What is the InChIKey of 4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole?
The InChIKey is DVCJYSGTVLPOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6(2)7-5-12-11-8(7)9-10-3-4-13-9/h3-6H,1-2H3.
What are the key properties of 4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole?
4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole has a molecular weight of 194.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-(1,3-thiazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 58415714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).