1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C19H16N2O2S — CID 141272464

IUPAC1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCC(=O)N1CCOc2ccc(-c3ncc(-c4ccccc4)s3)cc21
InChIInChI=1S/C19H16N2O2S/c1-13(22)21-9-10-23-17-8-7-15(11-16(17)21)19-20-12-18(24-19)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3
InChIKeyOOPBFZHPVSJCKA-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.22
Rot. Bonds2

About 1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 141272464) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID141272464
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCC(=O)N1CCOc2ccc(-c3ncc(-c4ccccc4)s3)cc21
InChIInChI=1S/C19H16N2O2S/c1-13(22)21-9-10-23-17-8-7-15(11-16(17)21)19-20-12-18(24-19)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3
InChIKeyOOPBFZHPVSJCKA-UHFFFAOYSA-N
XLogP4.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 141272464) is 1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is CC(=O)N1CCOc2ccc(-c3ncc(-c4ccccc4)s3)cc21.
What is the InChIKey of 1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is OOPBFZHPVSJCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-13(22)21-9-10-23-17-8-7-15(11-16(17)21)19-20-12-18(24-19)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 336.42 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-phenyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 141272464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).