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

C15H13N3OS — CID 58076990

IUPAC2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(o2)CCC(c2nccs2)C3)nc1
InChIInChI=1S/C15H13N3OS/c1-2-6-16-11(3-1)14-18-12-9-10(4-5-13(12)19-14)15-17-7-8-20-15/h1-3,6-8,10H,4-5,9H2
InChIKeySIJJFCMWYXXJBE-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.47
Rot. Bonds2

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

2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 58076990) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole
PubChem CID58076990
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(o2)CCC(c2nccs2)C3)nc1
InChIInChI=1S/C15H13N3OS/c1-2-6-16-11(3-1)14-18-12-9-10(4-5-13(12)19-14)15-17-7-8-20-15/h1-3,6-8,10H,4-5,9H2
InChIKeySIJJFCMWYXXJBE-UHFFFAOYSA-N
XLogP3.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole?
The IUPAC name of 2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 58076990) is 2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole is c1ccc(-c2nc3c(o2)CCC(c2nccs2)C3)nc1.
What is the InChIKey of 2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole?
The InChIKey is SIJJFCMWYXXJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-6-16-11(3-1)14-18-12-9-10(4-5-13(12)19-14)15-17-7-8-20-15/h1-3,6-8,10H,4-5,9H2.
What are the key properties of 2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole?
2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 283.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 58076990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).