5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

C21H27N3O — CID 92732606

IUPAC5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1[C@@H]1CCCN1Cc1cn(CC)c2ccccc12
InChIInChI=1S/C21H27N3O/c1-4-20-21(15(3)22-25-20)19-11-8-12-24(19)14-16-13-23(5-2)18-10-7-6-9-17(16)18/h6-7,9-10,13,19H,4-5,8,11-12,14H2,1-3H3/t19-/m0/s1
InChIKeyFTCKXRXMKHWPRN-IBGZPJMESA-N
MW337.47 g/mol
LogP4.86
Rot. Bonds5

About 5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 92732606) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID92732606
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1[C@@H]1CCCN1Cc1cn(CC)c2ccccc12
InChIInChI=1S/C21H27N3O/c1-4-20-21(15(3)22-25-20)19-11-8-12-24(19)14-16-13-23(5-2)18-10-7-6-9-17(16)18/h6-7,9-10,13,19H,4-5,8,11-12,14H2,1-3H3/t19-/m0/s1
InChIKeyFTCKXRXMKHWPRN-IBGZPJMESA-N
XLogP4.86
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50808983
4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 92732718
4-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 50808835
4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 50808958
1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056473
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311556
5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92503026
4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 50808669
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-phenylpyrrolidine-1-carboxamide
CID 50808840
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 50809106

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 92732606) is 5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is CCc1onc(C)c1[C@@H]1CCCN1Cc1cn(CC)c2ccccc12.
What is the InChIKey of 5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is FTCKXRXMKHWPRN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O/c1-4-20-21(15(3)22-25-20)19-11-8-12-24(19)14-16-13-23(5-2)18-10-7-6-9-17(16)18/h6-7,9-10,13,19H,4-5,8,11-12,14H2,1-3H3/t19-/m0/s1.
What are the key properties of 5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 337.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 92732606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).