7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole

C16H11N3OS — CID 89478928

IUPAC7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(-c3nccs3)noc12
InChIInChI=1S/C16H11N3OS/c1-10-5-6-17-9-13(10)11-3-2-4-12-14(19-20-15(11)12)16-18-7-8-21-16/h2-9H,1H3
InChIKeyAPPBGOHLCVUMIC-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.32
Rot. Bonds2

About 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole

7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole (PubChem CID 89478928) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole
PubChem CID89478928
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(-c3nccs3)noc12
InChIInChI=1S/C16H11N3OS/c1-10-5-6-17-9-13(10)11-3-2-4-12-14(19-20-15(11)12)16-18-7-8-21-16/h2-9H,1H3
InChIKeyAPPBGOHLCVUMIC-UHFFFAOYSA-N
XLogP4.32
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole?
The IUPAC name of 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole (CID 89478928) is 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole.
What is the SMILES notation for 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole?
The canonical SMILES for 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole is Cc1ccncc1-c1cccc2c(-c3nccs3)noc12.
What is the InChIKey of 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole?
The InChIKey is APPBGOHLCVUMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c1-10-5-6-17-9-13(10)11-3-2-4-12-14(19-20-15(11)12)16-18-7-8-21-16/h2-9H,1H3.
What are the key properties of 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole?
7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole has a molecular weight of 293.35 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole is sourced from PubChem (CID 89478928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).