5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid

C14H14N2O3S — CID 178158097

IUPAC5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1cnc2c(c1)N(Cc1ccc(C(=O)O)s1)CCO2
InChIInChI=1S/C14H14N2O3S/c1-9-6-11-13(15-7-9)19-5-4-16(11)8-10-2-3-12(20-10)14(17)18/h2-3,6-7H,4-5,8H2,1H3,(H,17,18)
InChIKeyRAZKINPTAGAYDZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.55
Rot. Bonds3

About 5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid

5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 178158097) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID178158097
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1cnc2c(c1)N(Cc1ccc(C(=O)O)s1)CCO2
InChIInChI=1S/C14H14N2O3S/c1-9-6-11-13(15-7-9)19-5-4-16(11)8-10-2-3-12(20-10)14(17)18/h2-3,6-7H,4-5,8H2,1H3,(H,17,18)
InChIKeyRAZKINPTAGAYDZ-UHFFFAOYSA-N
XLogP2.55
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid (CID 178158097) is 5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid is Cc1cnc2c(c1)N(Cc1ccc(C(=O)O)s1)CCO2.
What is the InChIKey of 5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is RAZKINPTAGAYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-6-11-13(15-7-9)19-5-4-16(11)8-10-2-3-12(20-10)14(17)18/h2-3,6-7H,4-5,8H2,1H3,(H,17,18).
What are the key properties of 5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid?
5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 178158097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).