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

C17H22N2O — CID 91675240

IUPAC2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole
SMILESCCCCN1CC=C(c2nc3cc(C)ccc3o2)CC1
InChIInChI=1S/C17H22N2O/c1-3-4-9-19-10-7-14(8-11-19)17-18-15-12-13(2)5-6-16(15)20-17/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyWATJMGSFSRMWOU-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.03
Rot. Bonds4

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

2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole (PubChem CID 91675240) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole
PubChem CID91675240
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole
SMILESCCCCN1CC=C(c2nc3cc(C)ccc3o2)CC1
InChIInChI=1S/C17H22N2O/c1-3-4-9-19-10-7-14(8-11-19)17-18-15-12-13(2)5-6-16(15)20-17/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyWATJMGSFSRMWOU-UHFFFAOYSA-N
XLogP4.03
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole (CID 91675240) is 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole is CCCCN1CC=C(c2nc3cc(C)ccc3o2)CC1.
What is the InChIKey of 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole?
The InChIKey is WATJMGSFSRMWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-4-9-19-10-7-14(8-11-19)17-18-15-12-13(2)5-6-16(15)20-17/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole?
2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole has a molecular weight of 270.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 91675240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).