1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

C18H21N3O2 — CID 97083404

IUPAC1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@@H]1CN(Cc2ccon2)c2ccccc21
InChIInChI=1S/C18H21N3O2/c22-18-6-3-9-20(18)10-7-14-12-21(13-15-8-11-23-19-15)17-5-2-1-4-16(14)17/h1-2,4-5,8,11,14H,3,6-7,9-10,12-13H2/t14-/m1/s1
InChIKeyXJMXQOCQARADNX-CQSZACIVSA-N
MW311.38 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 97083404) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
PubChem CID97083404
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@@H]1CN(Cc2ccon2)c2ccccc21
InChIInChI=1S/C18H21N3O2/c22-18-6-3-9-20(18)10-7-14-12-21(13-15-8-11-23-19-15)17-5-2-1-4-16(14)17/h1-2,4-5,8,11,14H,3,6-7,9-10,12-13H2/t14-/m1/s1
InChIKeyXJMXQOCQARADNX-CQSZACIVSA-N
XLogP2.79
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 126790858
1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 129398296
1-[2-[(3R)-1-[[6-chloro-2-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 99790675
1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96567308
1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96569870
6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile
CID 133419110
N-(3,4-dimethylphenyl)-2-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 126784115
N-(2,5-dimethylphenyl)-2-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 126793527
1-[2-[(3R)-1-[(3S)-morpholine-3-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702543
3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide
CID 71975520
1-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 24700363
1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96570582

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (CID 97083404) is 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC[C@@H]1CN(Cc2ccon2)c2ccccc21.
What is the InChIKey of 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The InChIKey is XJMXQOCQARADNX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18-6-3-9-20(18)10-7-14-12-21(13-15-8-11-23-19-15)17-5-2-1-4-16(14)17/h1-2,4-5,8,11,14H,3,6-7,9-10,12-13H2/t14-/m1/s1.
What are the key properties of 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 97083404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).