1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone

C22H27N3O2 — CID 97130924

IUPAC1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCc1noc(C)c1[C@H]1CCCN1C(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12
InChIInChI=1S/C22H27N3O2/c1-12-8-9-13(2)22-20(12)17(14(3)23-22)11-19(26)25-10-6-7-18(25)21-15(4)24-27-16(21)5/h8-9,18,23H,6-7,10-11H2,1-5H3/t18-/m1/s1
InChIKeyIZDPUTLSGXDQAR-GOSISDBHSA-N
MW365.48 g/mol
LogP4.60
Rot. Bonds3

About 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone

1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone (PubChem CID 97130924) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
PubChem CID97130924
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCc1noc(C)c1[C@H]1CCCN1C(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12
InChIInChI=1S/C22H27N3O2/c1-12-8-9-13(2)22-20(12)17(14(3)23-22)11-19(26)25-10-6-7-18(25)21-15(4)24-27-16(21)5/h8-9,18,23H,6-7,10-11H2,1-5H3/t18-/m1/s1
InChIKeyIZDPUTLSGXDQAR-GOSISDBHSA-N
XLogP4.60
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone (CID 97130924) is 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone is Cc1noc(C)c1[C@H]1CCCN1C(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12.
What is the InChIKey of 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The InChIKey is IZDPUTLSGXDQAR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-12-8-9-13(2)22-20(12)17(14(3)23-22)11-19(26)25-10-6-7-18(25)21-15(4)24-27-16(21)5/h8-9,18,23H,6-7,10-11H2,1-5H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone has a molecular weight of 365.48 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 97130924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).