(2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate

C18H15N3O5S — CID 31962279

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
SMILESO=C(OCc1coc(-c2ccccc2)n1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C18H15N3O5S/c22-18(14-6-7-16-20-27(23,24)9-8-21(16)10-14)26-12-15-11-25-17(19-15)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
InChIKeyNRQFUWNWAZUACL-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.88
Rot. Bonds4

About (2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate

(2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate (PubChem CID 31962279) has the molecular formula C18H15N3O5S and a molecular weight of 385.40 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
PubChem CID31962279
Molecular FormulaC18H15N3O5S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
SMILESO=C(OCc1coc(-c2ccccc2)n1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C18H15N3O5S/c22-18(14-6-7-16-20-27(23,24)9-8-21(16)10-14)26-12-15-11-25-17(19-15)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
InChIKeyNRQFUWNWAZUACL-UHFFFAOYSA-N
XLogP1.88
TPSA102.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate (CID 31962279) is (2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate is O=C(OCc1coc(-c2ccccc2)n1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The InChIKey is NRQFUWNWAZUACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5S/c22-18(14-6-7-16-20-27(23,24)9-8-21(16)10-14)26-12-15-11-25-17(19-15)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
(2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate has a molecular weight of 385.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate is sourced from PubChem (CID 31962279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).