4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

C70H87N11OS2 — CID 159166936

IUPAC4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
InChIInChI=1S/C12H13N.C10H12N2.2C10H11NS.C8H11N.2C7H10N2.C6H9NO/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-7-8-4-6/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyKLENTYCVSXJGHU-UHFFFAOYSA-N
MW1162.68 g/mol
LogP19.86
Rot. Bonds8

About 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (PubChem CID 159166936) has the molecular formula C70H87N11OS2 and a molecular weight of 1162.68 g/mol. Its IUPAC name is 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
PubChem CID159166936
Molecular FormulaC70H87N11OS2
Molecular Weight1162.68 g/mol
Exact Mass1161.65
IUPAC Name4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1
InChIInChI=1S/C12H13N.C10H12N2.2C10H11NS.C8H11N.2C7H10N2.C6H9NO/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-7-8-4-6/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyKLENTYCVSXJGHU-UHFFFAOYSA-N
XLogP19.86
TPSA146.45 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001162.68
LogP ≤ 519.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The IUPAC name of 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (CID 159166936) is 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The canonical SMILES for 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnn2ccccc12.CC(C)c1cnoc1.
What is the InChIKey of 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The InChIKey is KLENTYCVSXJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C10H12N2.2C10H11NS.C8H11N.2C7H10N2.C6H9NO/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-7-8-4-6/h3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine has a molecular weight of 1162.68 g/mol, XLogP of 19.86, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-ylquinoline;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 159166936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).