2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole

C19H18N2O — CID 22100968

IUPAC2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
SMILESC1=C(c2nc3ccccc3o2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H18N2O/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-20-17-8-4-5-9-18(17)22-19/h1-10H,11-14H2
InChIKeyLMRUSDUZVDKYMF-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.12
Rot. Bonds3

About 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole (PubChem CID 22100968) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
PubChem CID22100968
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
SMILESC1=C(c2nc3ccccc3o2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H18N2O/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-20-17-8-4-5-9-18(17)22-19/h1-10H,11-14H2
InChIKeyLMRUSDUZVDKYMF-UHFFFAOYSA-N
XLogP4.12
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole (CID 22100968) is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole is C1=C(c2nc3ccccc3o2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
The InChIKey is LMRUSDUZVDKYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-20-17-8-4-5-9-18(17)22-19/h1-10H,11-14H2.
What are the key properties of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole has a molecular weight of 290.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 22100968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).