2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole

C15H16N2O — CID 177049874

IUPAC2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESc1cc(-c2nc3c(o2)CCCC3)cc(C2CC2)n1
InChIInChI=1S/C15H16N2O/c1-2-4-14-12(3-1)17-15(18-14)11-7-8-16-13(9-11)10-5-6-10/h7-10H,1-6H2
InChIKeyPSZPUMZHLXZACU-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.49
Rot. Bonds2

About 2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole

2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 177049874) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole
PubChem CID177049874
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESc1cc(-c2nc3c(o2)CCCC3)cc(C2CC2)n1
InChIInChI=1S/C15H16N2O/c1-2-4-14-12(3-1)17-15(18-14)11-7-8-16-13(9-11)10-5-6-10/h7-10H,1-6H2
InChIKeyPSZPUMZHLXZACU-UHFFFAOYSA-N
XLogP3.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole?
The IUPAC name of 2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 177049874) is 2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole is c1cc(-c2nc3c(o2)CCCC3)cc(C2CC2)n1.
What is the InChIKey of 2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole?
The InChIKey is PSZPUMZHLXZACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-4-14-12(3-1)17-15(18-14)11-7-8-16-13(9-11)10-5-6-10/h7-10H,1-6H2.
What are the key properties of 2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole?
2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 240.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 177049874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).