5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole

C19H18N2O — CID 58076871

IUPAC5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESCc1cccc(C2CCc3oc(-c4ccccn4)nc3C2)c1
InChIInChI=1S/C19H18N2O/c1-13-5-4-6-14(11-13)15-8-9-18-17(12-15)21-19(22-18)16-7-2-3-10-20-16/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeyRUOLVOQVPUWSGW-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.32
Rot. Bonds2

About 5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole

5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 58076871) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
PubChem CID58076871
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESCc1cccc(C2CCc3oc(-c4ccccn4)nc3C2)c1
InChIInChI=1S/C19H18N2O/c1-13-5-4-6-14(11-13)15-8-9-18-17(12-15)21-19(22-18)16-7-2-3-10-20-16/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeyRUOLVOQVPUWSGW-UHFFFAOYSA-N
XLogP4.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The IUPAC name of 5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 58076871) is 5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is Cc1cccc(C2CCc3oc(-c4ccccn4)nc3C2)c1.
What is the InChIKey of 5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The InChIKey is RUOLVOQVPUWSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-5-4-6-14(11-13)15-8-9-18-17(12-15)21-19(22-18)16-7-2-3-10-20-16/h2-7,10-11,15H,8-9,12H2,1H3.
What are the key properties of 5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 290.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 58076871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).