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

C13H14N2O — CID 23269767

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
SMILESCN1CC=C(c2nc3ccccc3o2)CC1
InChIInChI=1S/C13H14N2O/c1-15-8-6-10(7-9-15)13-14-11-4-2-3-5-12(11)16-13/h2-6H,7-9H2,1H3
InChIKeyZGNFQHDIESIHSZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.55
Rot. Bonds1

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

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole (PubChem CID 23269767) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
PubChem CID23269767
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole
SMILESCN1CC=C(c2nc3ccccc3o2)CC1
InChIInChI=1S/C13H14N2O/c1-15-8-6-10(7-9-15)13-14-11-4-2-3-5-12(11)16-13/h2-6H,7-9H2,1H3
InChIKeyZGNFQHDIESIHSZ-UHFFFAOYSA-N
XLogP2.55
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole (CID 23269767) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole is CN1CC=C(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
The InChIKey is ZGNFQHDIESIHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-8-6-10(7-9-15)13-14-11-4-2-3-5-12(11)16-13/h2-6H,7-9H2,1H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole?
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole has a molecular weight of 214.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 23269767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).