2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole

C21H27N3OS — CID 155276937

IUPAC2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole
SMILESCC(C)Cc1nc(C(C)(C)c2ccc(C(C)(C)c3nccs3)cn2)co1
InChIInChI=1S/C21H27N3OS/c1-14(2)11-18-24-17(13-25-18)21(5,6)16-8-7-15(12-23-16)20(3,4)19-22-9-10-26-19/h7-10,12-14H,11H2,1-6H3
InChIKeyGTCBHKPVAFSZAF-UHFFFAOYSA-N
MW369.53 g/mol
LogP5.38
Rot. Bonds6

About 2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole

2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole (PubChem CID 155276937) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole
PubChem CID155276937
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole
SMILESCC(C)Cc1nc(C(C)(C)c2ccc(C(C)(C)c3nccs3)cn2)co1
InChIInChI=1S/C21H27N3OS/c1-14(2)11-18-24-17(13-25-18)21(5,6)16-8-7-15(12-23-16)20(3,4)19-22-9-10-26-19/h7-10,12-14H,11H2,1-6H3
InChIKeyGTCBHKPVAFSZAF-UHFFFAOYSA-N
XLogP5.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole?
The IUPAC name of 2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole (CID 155276937) is 2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole?
The canonical SMILES for 2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole is CC(C)Cc1nc(C(C)(C)c2ccc(C(C)(C)c3nccs3)cn2)co1.
What is the InChIKey of 2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole?
The InChIKey is GTCBHKPVAFSZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-14(2)11-18-24-17(13-25-18)21(5,6)16-8-7-15(12-23-16)20(3,4)19-22-9-10-26-19/h7-10,12-14H,11H2,1-6H3.
What are the key properties of 2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole?
2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole has a molecular weight of 369.53 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-[2-[5-[2-(1,3-thiazol-2-yl)propan-2-yl]-2-pyridinyl]propan-2-yl]-1,3-oxazole is sourced from PubChem (CID 155276937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).