2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole

C18H28N4O — CID 56703570

IUPAC2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)c1cc(C2CCN(Cc3coc(C(C)C)n3)CC2)[nH]n1
InChIInChI=1S/C18H28N4O/c1-12(2)16-9-17(21-20-16)14-5-7-22(8-6-14)10-15-11-23-18(19-15)13(3)4/h9,11-14H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyYIXLFCPEEGGWEM-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.02
Rot. Bonds5

About 2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole

2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 56703570) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID56703570
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)c1cc(C2CCN(Cc3coc(C(C)C)n3)CC2)[nH]n1
InChIInChI=1S/C18H28N4O/c1-12(2)16-9-17(21-20-16)14-5-7-22(8-6-14)10-15-11-23-18(19-15)13(3)4/h9,11-14H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyYIXLFCPEEGGWEM-UHFFFAOYSA-N
XLogP4.02
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 56703570) is 2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole is CC(C)c1cc(C2CCN(Cc3coc(C(C)C)n3)CC2)[nH]n1.
What is the InChIKey of 2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is YIXLFCPEEGGWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-12(2)16-9-17(21-20-16)14-5-7-22(8-6-14)10-15-11-23-18(19-15)13(3)4/h9,11-14H,5-8,10H2,1-4H3,(H,20,21).
What are the key properties of 2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole?
2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 316.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 56703570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).