2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole

C15H18N2O — CID 95909925

IUPAC2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole
SMILESCCN1CC=C(c2nc3cc(C)ccc3o2)CC1
InChIInChI=1S/C15H18N2O/c1-3-17-8-6-12(7-9-17)15-16-13-10-11(2)4-5-14(13)18-15/h4-6,10H,3,7-9H2,1-2H3
InChIKeyLTPOAQAVMLACEQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.25
Rot. Bonds2

About 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole

2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole (PubChem CID 95909925) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole
PubChem CID95909925
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole
SMILESCCN1CC=C(c2nc3cc(C)ccc3o2)CC1
InChIInChI=1S/C15H18N2O/c1-3-17-8-6-12(7-9-17)15-16-13-10-11(2)4-5-14(13)18-15/h4-6,10H,3,7-9H2,1-2H3
InChIKeyLTPOAQAVMLACEQ-UHFFFAOYSA-N
XLogP3.25
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole (CID 95909925) is 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole is CCN1CC=C(c2nc3cc(C)ccc3o2)CC1.
What is the InChIKey of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole?
The InChIKey is LTPOAQAVMLACEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-17-8-6-12(7-9-17)15-16-13-10-11(2)4-5-14(13)18-15/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole?
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole has a molecular weight of 242.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 95909925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).