2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole

C19H20N2O — CID 126961644

IUPAC2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(CN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C19H20N2O/c1-4-12-21(13-5-1)14-15-8-10-16(11-9-15)19-20-17-6-2-3-7-18(17)22-19/h2-3,6-11H,1,4-5,12-14H2
InChIKeyOJTBYLFHRXSDGC-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.48
Rot. Bonds3

About 2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole

2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole (PubChem CID 126961644) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole
PubChem CID126961644
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(CN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C19H20N2O/c1-4-12-21(13-5-1)14-15-8-10-16(11-9-15)19-20-17-6-2-3-7-18(17)22-19/h2-3,6-11H,1,4-5,12-14H2
InChIKeyOJTBYLFHRXSDGC-UHFFFAOYSA-N
XLogP4.48
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole (CID 126961644) is 2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole is c1ccc2oc(-c3ccc(CN4CCCCC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole?
The InChIKey is OJTBYLFHRXSDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-4-12-21(13-5-1)14-15-8-10-16(11-9-15)19-20-17-6-2-3-7-18(17)22-19/h2-3,6-11H,1,4-5,12-14H2.
What are the key properties of 2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole?
2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole has a molecular weight of 292.38 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 126961644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).