6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole

C17H14N2O2 — CID 19862991

IUPAC6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole
SMILESCOc1cccc2c1CCc1nc(-c3ccncc3)oc1-2
InChIInChI=1S/C17H14N2O2/c1-20-15-4-2-3-13-12(15)5-6-14-16(13)21-17(19-14)11-7-9-18-10-8-11/h2-4,7-10H,5-6H2,1H3
InChIKeyHHVNKRASYNCBTH-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.51
Rot. Bonds2

About 6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole

6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole (PubChem CID 19862991) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole
PubChem CID19862991
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole
SMILESCOc1cccc2c1CCc1nc(-c3ccncc3)oc1-2
InChIInChI=1S/C17H14N2O2/c1-20-15-4-2-3-13-12(15)5-6-14-16(13)21-17(19-14)11-7-9-18-10-8-11/h2-4,7-10H,5-6H2,1H3
InChIKeyHHVNKRASYNCBTH-UHFFFAOYSA-N
XLogP3.51
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole?
The IUPAC name of 6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole (CID 19862991) is 6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole.
What is the SMILES notation for 6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole?
The canonical SMILES for 6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole is COc1cccc2c1CCc1nc(-c3ccncc3)oc1-2.
What is the InChIKey of 6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole?
The InChIKey is HHVNKRASYNCBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-20-15-4-2-3-13-12(15)5-6-14-16(13)21-17(19-14)11-7-9-18-10-8-11/h2-4,7-10H,5-6H2,1H3.
What are the key properties of 6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole?
6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole has a molecular weight of 278.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pyridin-4-yl-4,5-dihydrobenzo[g][1,3]benzoxazole is sourced from PubChem (CID 19862991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).