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

C20H23N3O2 — CID 172902775

IUPAC[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCN(Cc2cc(C3CC3)on2)C1)N1CCc2ccccc21
InChIInChI=1S/C20H23N3O2/c24-20(23-10-8-14-3-1-2-4-18(14)23)16-7-9-22(12-16)13-17-11-19(25-21-17)15-5-6-15/h1-4,11,15-16H,5-10,12-13H2
InChIKeyPTHIIRBWZZMCGT-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.96
Rot. Bonds4

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

[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 172902775) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID172902775
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCN(Cc2cc(C3CC3)on2)C1)N1CCc2ccccc21
InChIInChI=1S/C20H23N3O2/c24-20(23-10-8-14-3-1-2-4-18(14)23)16-7-9-22(12-16)13-17-11-19(25-21-17)15-5-6-15/h1-4,11,15-16H,5-10,12-13H2
InChIKeyPTHIIRBWZZMCGT-UHFFFAOYSA-N
XLogP2.96
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone
CID 172901645
2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104
2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904110
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163352828
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
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
CID 172891765
2,3-dihydroindol-1-yl-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38152302
[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 38147769
5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343
2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 38106377

Frequently Asked Questions

What is the IUPAC name of [1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone (CID 172902775) is [1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(C1CCN(Cc2cc(C3CC3)on2)C1)N1CCc2ccccc21.
What is the InChIKey of [1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is PTHIIRBWZZMCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(23-10-8-14-3-1-2-4-18(14)23)16-7-9-22(12-16)13-17-11-19(25-21-17)15-5-6-15/h1-4,11,15-16H,5-10,12-13H2.
What are the key properties of [1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 337.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 172902775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).