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

C20H30N2O — CID 138548707

IUPAC2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole
SMILESCC(C)c1ccnc(C(C)CCC(C)c2cnc(C(C)C)o2)c1
InChIInChI=1S/C20H30N2O/c1-13(2)17-9-10-21-18(11-17)15(5)7-8-16(6)19-12-22-20(23-19)14(3)4/h9-16H,7-8H2,1-6H3
InChIKeyJWHPWNGZYVLFTL-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.00
Rot. Bonds7

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

2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole (PubChem CID 138548707) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole
PubChem CID138548707
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole
SMILESCC(C)c1ccnc(C(C)CCC(C)c2cnc(C(C)C)o2)c1
InChIInChI=1S/C20H30N2O/c1-13(2)17-9-10-21-18(11-17)15(5)7-8-16(6)19-12-22-20(23-19)14(3)4/h9-16H,7-8H2,1-6H3
InChIKeyJWHPWNGZYVLFTL-UHFFFAOYSA-N
XLogP6.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine
CID 130227799
2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine
CID 135215939
2-propan-2-yl-4-[5-(5-propan-2-yl-3-pyridinyl)hexan-2-yl]pyridine
CID 155097626
2,5-di(propan-2-yl)-1,3-oxazole
CID 21065018
1-(4-propan-2-yl-2-pyridinyl)ethanol
CID 45096260
2,5-di(propan-2-yl)-1,3-oxazole;ethane
CID 142582131
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane
CID 159524432
2-(3-methylbutyl)-4-propan-2-ylpyridine
CID 59202153
4-fluoro-2-pentan-2-ylpyridine
CID 134243640
CID 166491542
CID 166491542

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole?
The IUPAC name of 2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole (CID 138548707) is 2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole?
The canonical SMILES for 2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole is CC(C)c1ccnc(C(C)CCC(C)c2cnc(C(C)C)o2)c1.
What is the InChIKey of 2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole?
The InChIKey is JWHPWNGZYVLFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-13(2)17-9-10-21-18(11-17)15(5)7-8-16(6)19-12-22-20(23-19)14(3)4/h9-16H,7-8H2,1-6H3.
What are the key properties of 2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole?
2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole has a molecular weight of 314.47 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole is sourced from PubChem (CID 138548707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).