2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid

C15H19N3O5S — CID 122070064

IUPAC2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)O
InChIInChI=1S/C15H19N3O5S/c1-2-3-4-12(15(19)20)18-24(21,22)10-7-11-13(9-5-6-9)17-23-14(11)16-8-10/h7-9,12,18H,2-6H2,1H3,(H,19,20)
InChIKeyDTNMCQGYFUNXMH-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.02
Rot. Bonds8

About 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid

2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid (PubChem CID 122070064) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid
PubChem CID122070064
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)O
InChIInChI=1S/C15H19N3O5S/c1-2-3-4-12(15(19)20)18-24(21,22)10-7-11-13(9-5-6-9)17-23-14(11)16-8-10/h7-9,12,18H,2-6H2,1H3,(H,19,20)
InChIKeyDTNMCQGYFUNXMH-UHFFFAOYSA-N
XLogP2.02
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid with MolForge

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Related Compounds

(2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid
CID 122069616
(2S)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid
CID 122069823
2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid
CID 3796406
2-(furan-3-ylsulfonylamino)hexanoic acid
CID 120968679
(2S)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]hexanoic acid
CID 122070573
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
2-[[4-(dimethylamino)phenyl]sulfonylamino]hexanoic acid
CID 122070000
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid
CID 82222840
2-[(2,4,6-trichlorophenyl)sulfonylamino]hexanoic acid
CID 43470072
(2S)-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonylamino]hexanoic acid
CID 42587865

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid (CID 122070064) is 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)O.
What is the InChIKey of 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid?
The InChIKey is DTNMCQGYFUNXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-2-3-4-12(15(19)20)18-24(21,22)10-7-11-13(9-5-6-9)17-23-14(11)16-8-10/h7-9,12,18H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid?
2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid has a molecular weight of 353.40 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 122070064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).