3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

C26H38N6OS — CID 162094777

IUPAC3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cccnn1.CC(C)c1ccon1.CC(C)c1ncccn1.CC(C)c1nccs1
InChIInChI=1S/2C7H10N2.C6H9NO.C6H9NS/c1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6/h2*3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyZECFPSMWSDGRNZ-UHFFFAOYSA-N
MW482.70 g/mol
LogP7.26
Rot. Bonds4

About 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (PubChem CID 162094777) has the molecular formula C26H38N6OS and a molecular weight of 482.70 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
PubChem CID162094777
Molecular FormulaC26H38N6OS
Molecular Weight482.70 g/mol
Exact Mass482.28
IUPAC Name3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cccnn1.CC(C)c1ccon1.CC(C)c1ncccn1.CC(C)c1nccs1
InChIInChI=1S/2C7H10N2.C6H9NO.C6H9NS/c1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6/h2*3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyZECFPSMWSDGRNZ-UHFFFAOYSA-N
XLogP7.26
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.70
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (CID 162094777) is 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is CC(C)c1cccnn1.CC(C)c1ccon1.CC(C)c1ncccn1.CC(C)c1nccs1.
What is the InChIKey of 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The InChIKey is ZECFPSMWSDGRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10N2.C6H9NO.C6H9NS/c1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6/h2*3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole has a molecular weight of 482.70 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 162094777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).