2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one

C17H11NO2S — CID 121366012

IUPAC2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one
SMILESCc1nc2ccc3sc(-c4ccccc4)cc(=O)c3c2o1
InChIInChI=1S/C17H11NO2S/c1-10-18-12-7-8-14-16(17(12)20-10)13(19)9-15(21-14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyQKCKBDPNKHHDHR-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.38
Rot. Bonds1

About 2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one

2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one (PubChem CID 121366012) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one.

Molecular Properties

Compound Name2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one
PubChem CID121366012
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one
SMILESCc1nc2ccc3sc(-c4ccccc4)cc(=O)c3c2o1
InChIInChI=1S/C17H11NO2S/c1-10-18-12-7-8-14-16(17(12)20-10)13(19)9-15(21-14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyQKCKBDPNKHHDHR-UHFFFAOYSA-N
XLogP4.38
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one?
The IUPAC name of 2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one (CID 121366012) is 2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one.
What is the SMILES notation for 2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one?
The canonical SMILES for 2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one is Cc1nc2ccc3sc(-c4ccccc4)cc(=O)c3c2o1.
What is the InChIKey of 2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one?
The InChIKey is QKCKBDPNKHHDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c1-10-18-12-7-8-14-16(17(12)20-10)13(19)9-15(21-14)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one?
2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one has a molecular weight of 293.35 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one is sourced from PubChem (CID 121366012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).