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

C22H29N3O2 — CID 53030992

IUPAC5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCCn1cc(CN2CCCC2c2cc(C(C)C)no2)c2cc(OC)ccc21
InChIInChI=1S/C22H29N3O2/c1-5-24-13-16(18-11-17(26-4)8-9-20(18)24)14-25-10-6-7-21(25)22-12-19(15(2)3)23-27-22/h8-9,11-13,15,21H,5-7,10,14H2,1-4H3
InChIKeyCZFDMVUWDPBZRE-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.12
Rot. Bonds6

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

5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 53030992) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID53030992
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCCn1cc(CN2CCCC2c2cc(C(C)C)no2)c2cc(OC)ccc21
InChIInChI=1S/C22H29N3O2/c1-5-24-13-16(18-11-17(26-4)8-9-20(18)24)14-25-10-6-7-21(25)22-12-19(15(2)3)23-27-22/h8-9,11-13,15,21H,5-7,10,14H2,1-4H3
InChIKeyCZFDMVUWDPBZRE-UHFFFAOYSA-N
XLogP5.12
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (CID 53030992) is 5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is CCn1cc(CN2CCCC2c2cc(C(C)C)no2)c2cc(OC)ccc21.
What is the InChIKey of 5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is CZFDMVUWDPBZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-24-13-16(18-11-17(26-4)8-9-20(18)24)14-25-10-6-7-21(25)22-12-19(15(2)3)23-27-22/h8-9,11-13,15,21H,5-7,10,14H2,1-4H3.
What are the key properties of 5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 367.49 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 53030992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).