4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole

C19H29N3O — CID 70728771

IUPAC4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)co1
InChIInChI=1S/C19H29N3O/c1-14-20-18(13-23-14)12-21-2-4-22(5-3-21)19-9-15-6-16(10-19)8-17(7-15)11-19/h13,15-17H,2-12H2,1H3
InChIKeyNZTJMWUEPFGFQS-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.07
Rot. Bonds3

About 4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 70728771) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID70728771
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)co1
InChIInChI=1S/C19H29N3O/c1-14-20-18(13-23-14)12-21-2-4-22(5-3-21)19-9-15-6-16(10-19)8-17(7-15)11-19/h13,15-17H,2-12H2,1H3
InChIKeyNZTJMWUEPFGFQS-UHFFFAOYSA-N
XLogP3.07
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 70728771) is 4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)co1.
What is the InChIKey of 4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is NZTJMWUEPFGFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14-20-18(13-23-14)12-21-2-4-22(5-3-21)19-9-15-6-16(10-19)8-17(7-15)11-19/h13,15-17H,2-12H2,1H3.
What are the key properties of 4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 315.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 70728771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).