2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid

C16H21N3O5S — CID 167757920

IUPAC2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid
SMILESCC(C)(C)CN(CC(=O)O)S(=O)(=O)c1cnc2onc(C3CC3)c2c1
InChIInChI=1S/C16H21N3O5S/c1-16(2,3)9-19(8-13(20)21)25(22,23)11-6-12-14(10-4-5-10)18-24-15(12)17-7-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyPPDOQIACKTXEQX-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.22
Rot. Bonds6

About 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid

2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid (PubChem CID 167757920) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid
PubChem CID167757920
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid
SMILESCC(C)(C)CN(CC(=O)O)S(=O)(=O)c1cnc2onc(C3CC3)c2c1
InChIInChI=1S/C16H21N3O5S/c1-16(2,3)9-19(8-13(20)21)25(22,23)11-6-12-14(10-4-5-10)18-24-15(12)17-7-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyPPDOQIACKTXEQX-UHFFFAOYSA-N
XLogP2.22
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid (CID 167757920) is 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid is CC(C)(C)CN(CC(=O)O)S(=O)(=O)c1cnc2onc(C3CC3)c2c1.
What is the InChIKey of 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid?
The InChIKey is PPDOQIACKTXEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-16(2,3)9-19(8-13(20)21)25(22,23)11-6-12-14(10-4-5-10)18-24-15(12)17-7-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,21).
What are the key properties of 2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid?
2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid has a molecular weight of 367.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 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)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid is sourced from PubChem (CID 167757920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).