4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide

C17H22N4O3S — CID 16682198

IUPAC4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
SMILESCCCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCCC
InChIInChI=1S/C17H22N4O3S/c1-3-8-19-16(22)14-12(11-25-13-7-5-6-10-18-13)21-24-15(14)17(23)20-9-4-2/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKEZKQHGDGQDNOA-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.64
Rot. Bonds9

About 4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide

4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide (PubChem CID 16682198) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
PubChem CID16682198
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
SMILESCCCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCCC
InChIInChI=1S/C17H22N4O3S/c1-3-8-19-16(22)14-12(11-25-13-7-5-6-10-18-13)21-24-15(14)17(23)20-9-4-2/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKEZKQHGDGQDNOA-UHFFFAOYSA-N
XLogP2.64
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide (CID 16682198) is 4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide is CCCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCCC.
What is the InChIKey of 4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide?
The InChIKey is KEZKQHGDGQDNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-8-19-16(22)14-12(11-25-13-7-5-6-10-18-13)21-24-15(14)17(23)20-9-4-2/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide?
4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-dipropyl-3-(pyridin-2-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide is sourced from PubChem (CID 16682198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).