3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C21H27N3O — CID 50809424

IUPAC3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1Cc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C21H27N3O/c1-14(2)24-13-17(18-8-5-6-9-19(18)24)12-23-11-7-10-20(23)21-15(3)22-25-16(21)4/h5-6,8-9,13-14,20H,7,10-12H2,1-4H3
InChIKeyFRCWYLMTFPIABO-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.16
Rot. Bonds4

About 3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 50809424) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID50809424
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1Cc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C21H27N3O/c1-14(2)24-13-17(18-8-5-6-9-19(18)24)12-23-11-7-10-20(23)21-15(3)22-25-16(21)4/h5-6,8-9,13-14,20H,7,10-12H2,1-4H3
InChIKeyFRCWYLMTFPIABO-UHFFFAOYSA-N
XLogP5.16
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 50809424) is 3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1noc(C)c1C1CCCN1Cc1cn(C(C)C)c2ccccc12.
What is the InChIKey of 3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is FRCWYLMTFPIABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14(2)24-13-17(18-8-5-6-9-19(18)24)12-23-11-7-10-20(23)21-15(3)22-25-16(21)4/h5-6,8-9,13-14,20H,7,10-12H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 337.47 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 50809424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).