3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole

C21H27N3O — CID 50809403

IUPAC3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCCn1cc(CN2CCCC2c2cc(C(C)C)on2)c2ccccc21
InChIInChI=1S/C21H27N3O/c1-4-23-13-16(17-8-5-6-9-19(17)23)14-24-11-7-10-20(24)18-12-21(15(2)3)25-22-18/h5-6,8-9,12-13,15,20H,4,7,10-11,14H2,1-3H3
InChIKeyVOWMZZACXFUNRW-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.11
Rot. Bonds5

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

3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (PubChem CID 50809403) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
PubChem CID50809403
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCCn1cc(CN2CCCC2c2cc(C(C)C)on2)c2ccccc21
InChIInChI=1S/C21H27N3O/c1-4-23-13-16(17-8-5-6-9-19(17)23)14-24-11-7-10-20(24)18-12-21(15(2)3)25-22-18/h5-6,8-9,12-13,15,20H,4,7,10-11,14H2,1-3H3
InChIKeyVOWMZZACXFUNRW-UHFFFAOYSA-N
XLogP5.11
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (CID 50809403) is 3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is CCn1cc(CN2CCCC2c2cc(C(C)C)on2)c2ccccc21.
What is the InChIKey of 3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The InChIKey is VOWMZZACXFUNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-4-23-13-16(17-8-5-6-9-19(17)23)14-24-11-7-10-20(24)18-12-21(15(2)3)25-22-18/h5-6,8-9,12-13,15,20H,4,7,10-11,14H2,1-3H3.
What are the key properties of 3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole has a molecular weight of 337.47 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 50809403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).