7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole

C24H18N2O2 — CID 89480267

IUPAC7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(OCc3ccc4ccccc4c3)noc12
InChIInChI=1S/C24H18N2O2/c1-16-11-12-25-14-22(16)20-7-4-8-21-23(20)28-26-24(21)27-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-14H,15H2,1H3
InChIKeyXWCHYJMJXNPNRN-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.93
Rot. Bonds4

About 7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole

7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole (PubChem CID 89480267) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole.

Molecular Properties

Compound Name7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole
PubChem CID89480267
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(OCc3ccc4ccccc4c3)noc12
InChIInChI=1S/C24H18N2O2/c1-16-11-12-25-14-22(16)20-7-4-8-21-23(20)28-26-24(21)27-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-14H,15H2,1H3
InChIKeyXWCHYJMJXNPNRN-UHFFFAOYSA-N
XLogP5.93
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole?
The IUPAC name of 7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole (CID 89480267) is 7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole.
What is the SMILES notation for 7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole?
The canonical SMILES for 7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole is Cc1ccncc1-c1cccc2c(OCc3ccc4ccccc4c3)noc12.
What is the InChIKey of 7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole?
The InChIKey is XWCHYJMJXNPNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-16-11-12-25-14-22(16)20-7-4-8-21-23(20)28-26-24(21)27-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-14H,15H2,1H3.
What are the key properties of 7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole?
7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole has a molecular weight of 366.42 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole is sourced from PubChem (CID 89480267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).