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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Related Compounds

2-phenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 171411458
5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
CID 155226369
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158392817
2-methyl-5,6-diphenylthieno[2,3-d][1,3]oxazin-4-one
CID 747503
CID 178024724
CID 178024724
2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531010
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811
5,8-dichloro-2-phenylthiochromen-4-one
CID 13211856
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
N-(2-methyl-1,3-benzoxazol-7-yl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110356766
5-phenyl-16-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-oxa-14-thia-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 176647315
2,7-bis(2-phenyl-1-benzothiophen-6-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314051

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).