2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one

C17H17NO2S — CID 110172567

IUPAC2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCCCc1nc2sc(-c3ccccc3)c(C)c2c(=O)o1
InChIInChI=1S/C17H17NO2S/c1-3-4-10-13-18-16-14(17(19)20-13)11(2)15(21-16)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKeyWMTCMAFAYSZSMV-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.57
Rot. Bonds4

About 2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one

2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 110172567) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID110172567
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCCCc1nc2sc(-c3ccccc3)c(C)c2c(=O)o1
InChIInChI=1S/C17H17NO2S/c1-3-4-10-13-18-16-14(17(19)20-13)11(2)15(21-16)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKeyWMTCMAFAYSZSMV-UHFFFAOYSA-N
XLogP4.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one (CID 110172567) is 2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one is CCCCc1nc2sc(-c3ccccc3)c(C)c2c(=O)o1.
What is the InChIKey of 2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is WMTCMAFAYSZSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-3-4-10-13-18-16-14(17(19)20-13)11(2)15(21-16)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one?
2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 299.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 110172567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).