2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole

C18H18N2O — CID 118864278

IUPAC2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole
SMILESC/C(=C\C(C)C)c1nc2cc(-c3ccncc3)ccc2o1
InChIInChI=1S/C18H18N2O/c1-12(2)10-13(3)18-20-16-11-15(4-5-17(16)21-18)14-6-8-19-9-7-14/h4-12H,1-3H3/b13-10+
InChIKeyIQVUDYIBUDRLCX-JLHYYAGUSA-N
MW278.36 g/mol
LogP4.95
Rot. Bonds3

About 2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole

2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole (PubChem CID 118864278) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole
PubChem CID118864278
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole
SMILESC/C(=C\C(C)C)c1nc2cc(-c3ccncc3)ccc2o1
InChIInChI=1S/C18H18N2O/c1-12(2)10-13(3)18-20-16-11-15(4-5-17(16)21-18)14-6-8-19-9-7-14/h4-12H,1-3H3/b13-10+
InChIKeyIQVUDYIBUDRLCX-JLHYYAGUSA-N
XLogP4.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole?
The IUPAC name of 2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole (CID 118864278) is 2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole is C/C(=C\C(C)C)c1nc2cc(-c3ccncc3)ccc2o1.
What is the InChIKey of 2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole?
The InChIKey is IQVUDYIBUDRLCX-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12(2)10-13(3)18-20-16-11-15(4-5-17(16)21-18)14-6-8-19-9-7-14/h4-12H,1-3H3/b13-10+.
What are the key properties of 2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole?
2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole has a molecular weight of 278.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-methylpent-2-en-2-yl]-5-pyridin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 118864278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).