N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C15H15N3O2S — CID 58346079

IUPACN-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCSc1ccc(NC(=O)N2CCOc3cccnc32)cc1
InChIInChI=1S/C15H15N3O2S/c1-21-12-6-4-11(5-7-12)17-15(19)18-9-10-20-13-3-2-8-16-14(13)18/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyQYBLDVJLTZRMRP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.23
Rot. Bonds2

About N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 58346079) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID58346079
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCSc1ccc(NC(=O)N2CCOc3cccnc32)cc1
InChIInChI=1S/C15H15N3O2S/c1-21-12-6-4-11(5-7-12)17-15(19)18-9-10-20-13-3-2-8-16-14(13)18/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyQYBLDVJLTZRMRP-UHFFFAOYSA-N
XLogP3.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 58346079) is N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is CSc1ccc(NC(=O)N2CCOc3cccnc32)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is QYBLDVJLTZRMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-21-12-6-4-11(5-7-12)17-15(19)18-9-10-20-13-3-2-8-16-14(13)18/h2-8H,9-10H2,1H3,(H,17,19).
What are the key properties of N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 58346079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).