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

C16H15N3O2 — CID 58076930

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESCc1cc(-c2nc3c(o2)CCC(c2ccccn2)C3)on1
InChIInChI=1S/C16H15N3O2/c1-10-8-15(21-19-10)16-18-13-9-11(5-6-14(13)20-16)12-4-2-3-7-17-12/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyLNABHOGFAAJJPL-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.31
Rot. Bonds2

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

2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 58076930) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
PubChem CID58076930
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESCc1cc(-c2nc3c(o2)CCC(c2ccccn2)C3)on1
InChIInChI=1S/C16H15N3O2/c1-10-8-15(21-19-10)16-18-13-9-11(5-6-14(13)20-16)12-4-2-3-7-17-12/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyLNABHOGFAAJJPL-UHFFFAOYSA-N
XLogP3.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 58076930) is 2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is Cc1cc(-c2nc3c(o2)CCC(c2ccccn2)C3)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The InChIKey is LNABHOGFAAJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-8-15(21-19-10)16-18-13-9-11(5-6-14(13)20-16)12-4-2-3-7-17-12/h2-4,7-8,11H,5-6,9H2,1H3.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 281.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 58076930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).