2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone

C19H23N3O2 — CID 172901645

IUPAC2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone
SMILESCc1noc(C)c1CN1CCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C19H23N3O2/c1-13-17(14(2)24-20-13)12-21-9-7-16(11-21)19(23)22-10-8-15-5-3-4-6-18(15)22/h3-6,16H,7-12H2,1-2H3
InChIKeyYIIVRRAPRKEGBB-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.70
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone (PubChem CID 172901645) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone
PubChem CID172901645
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone
SMILESCc1noc(C)c1CN1CCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C19H23N3O2/c1-13-17(14(2)24-20-13)12-21-9-7-16(11-21)19(23)22-10-8-15-5-3-4-6-18(15)22/h3-6,16H,7-12H2,1-2H3
InChIKeyYIIVRRAPRKEGBB-UHFFFAOYSA-N
XLogP2.70
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902775
2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904110
2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104
2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
CID 172891765
2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926284
2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99959880
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556
2,3-dihydroindol-1-yl-[(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]methanone
CID 94243870
2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 172901325
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone (CID 172901645) is 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone is Cc1noc(C)c1CN1CCC(C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone?
The InChIKey is YIIVRRAPRKEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-17(14(2)24-20-13)12-21-9-7-16(11-21)19(23)22-10-8-15-5-3-4-6-18(15)22/h3-6,16H,7-12H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 172901645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).