4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole

C12H20N2O — CID 159283548

IUPAC4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CN1CCCCC1
InChIInChI=1S/C12H20N2O/c1-10(2)12-11(13-9-15-12)8-14-6-4-3-5-7-14/h9-10H,3-8H2,1-2H3
InChIKeyKZFKDGBACBRVCQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.78
Rot. Bonds3

About 4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole

4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 159283548) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
PubChem CID159283548
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CN1CCCCC1
InChIInChI=1S/C12H20N2O/c1-10(2)12-11(13-9-15-12)8-14-6-4-3-5-7-14/h9-10H,3-8H2,1-2H3
InChIKeyKZFKDGBACBRVCQ-UHFFFAOYSA-N
XLogP2.78
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole (CID 159283548) is 4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1ocnc1CN1CCCCC1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is KZFKDGBACBRVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)12-11(13-9-15-12)8-14-6-4-3-5-7-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole?
4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 208.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 159283548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).