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

C12H18N2O — CID 83848363

IUPAC3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole
SMILESc1c(C2CC2)noc1CC1CCNCC1
InChIInChI=1S/C12H18N2O/c1-2-10(1)12-8-11(15-14-12)7-9-3-5-13-6-4-9/h8-10,13H,1-7H2
InChIKeyOBFUNIQOELPNDM-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.09
Rot. Bonds3

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

3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole (PubChem CID 83848363) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole
PubChem CID83848363
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole
SMILESc1c(C2CC2)noc1CC1CCNCC1
InChIInChI=1S/C12H18N2O/c1-2-10(1)12-8-11(15-14-12)7-9-3-5-13-6-4-9/h8-10,13H,1-7H2
InChIKeyOBFUNIQOELPNDM-UHFFFAOYSA-N
XLogP2.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole (CID 83848363) is 3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole is c1c(C2CC2)noc1CC1CCNCC1.
What is the InChIKey of 3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole?
The InChIKey is OBFUNIQOELPNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-10(1)12-8-11(15-14-12)7-9-3-5-13-6-4-9/h8-10,13H,1-7H2.
What are the key properties of 3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole?
3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole has a molecular weight of 206.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 83848363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).