1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid

C18H15N3O5S — CID 167929230

IUPAC1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid
SMILESO=C(O)c1cccc2c1N(S(=O)(=O)c1cnc3onc(C4CC4)c3c1)CC2
InChIInChI=1S/C18H15N3O5S/c22-18(23)13-3-1-2-11-6-7-21(16(11)13)27(24,25)12-8-14-15(10-4-5-10)20-26-17(14)19-9-12/h1-3,8-10H,4-7H2,(H,22,23)
InChIKeyGTCWHTDRNOLLDA-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.55
Rot. Bonds4

About 1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid

1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid (PubChem CID 167929230) has the molecular formula C18H15N3O5S and a molecular weight of 385.40 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid
PubChem CID167929230
Molecular FormulaC18H15N3O5S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid
SMILESO=C(O)c1cccc2c1N(S(=O)(=O)c1cnc3onc(C4CC4)c3c1)CC2
InChIInChI=1S/C18H15N3O5S/c22-18(23)13-3-1-2-11-6-7-21(16(11)13)27(24,25)12-8-14-15(10-4-5-10)20-26-17(14)19-9-12/h1-3,8-10H,4-7H2,(H,22,23)
InChIKeyGTCWHTDRNOLLDA-UHFFFAOYSA-N
XLogP2.55
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid?
The IUPAC name of 1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid (CID 167929230) is 1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid is O=C(O)c1cccc2c1N(S(=O)(=O)c1cnc3onc(C4CC4)c3c1)CC2.
What is the InChIKey of 1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid?
The InChIKey is GTCWHTDRNOLLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5S/c22-18(23)13-3-1-2-11-6-7-21(16(11)13)27(24,25)12-8-14-15(10-4-5-10)20-26-17(14)19-9-12/h1-3,8-10H,4-7H2,(H,22,23).
What are the key properties of 1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid?
1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid has a molecular weight of 385.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-2,3-dihydroindole-7-carboxylic acid is sourced from PubChem (CID 167929230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).