2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride

C17H20ClN3O3 — CID 155540406

IUPAC2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride
SMILESCl.O=C(c1cc(OC[C@@H]2CCCN2)no1)N1CCc2ccccc21
InChIInChI=1S/C17H19N3O3.ClH/c21-17(20-9-7-12-4-1-2-6-14(12)20)15-10-16(19-23-15)22-11-13-5-3-8-18-13;/h1-2,4,6,10,13,18H,3,5,7-9,11H2;1H/t13-;/m0./s1
InChIKeyXFTXOKAOMZXCRG-ZOWNYOTGSA-N
MW349.82 g/mol
LogP2.43
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride

2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride (PubChem CID 155540406) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride
PubChem CID155540406
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride
SMILESCl.O=C(c1cc(OC[C@@H]2CCCN2)no1)N1CCc2ccccc21
InChIInChI=1S/C17H19N3O3.ClH/c21-17(20-9-7-12-4-1-2-6-14(12)20)15-10-16(19-23-15)22-11-13-5-3-8-18-13;/h1-2,4,6,10,13,18H,3,5,7-9,11H2;1H/t13-;/m0./s1
InChIKeyXFTXOKAOMZXCRG-ZOWNYOTGSA-N
XLogP2.43
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride?
The IUPAC name of 2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride (CID 155540406) is 2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride?
The canonical SMILES for 2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride is Cl.O=C(c1cc(OC[C@@H]2CCCN2)no1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride?
The InChIKey is XFTXOKAOMZXCRG-ZOWNYOTGSA-N. The full InChI is InChI=1S/C17H19N3O3.ClH/c21-17(20-9-7-12-4-1-2-6-14(12)20)15-10-16(19-23-15)22-11-13-5-3-8-18-13;/h1-2,4,6,10,13,18H,3,5,7-9,11H2;1H/t13-;/m0./s1.
What are the key properties of 2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride?
2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride has a molecular weight of 349.82 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanone;hydrochloride is sourced from PubChem (CID 155540406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).