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

C20H25N3O — CID 50809404

IUPAC5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2cn(C(C)C)c3ccccc23)no1
InChIInChI=1S/C20H25N3O/c1-14(2)23-13-16(17-7-4-5-8-19(17)23)12-22-10-6-9-20(22)18-11-15(3)24-21-18/h4-5,7-8,11,13-14,20H,6,9-10,12H2,1-3H3
InChIKeyJPVRRRQLRVVVEA-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.86
Rot. Bonds4

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

5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 50809404) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID50809404
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2cn(C(C)C)c3ccccc23)no1
InChIInChI=1S/C20H25N3O/c1-14(2)23-13-16(17-7-4-5-8-19(17)23)12-22-10-6-9-20(22)18-11-15(3)24-21-18/h4-5,7-8,11,13-14,20H,6,9-10,12H2,1-3H3
InChIKeyJPVRRRQLRVVVEA-UHFFFAOYSA-N
XLogP4.86
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 50809404) is 5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1cc(C2CCCN2Cc2cn(C(C)C)c3ccccc23)no1.
What is the InChIKey of 5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is JPVRRRQLRVVVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14(2)23-13-16(17-7-4-5-8-19(17)23)12-22-10-6-9-20(22)18-11-15(3)24-21-18/h4-5,7-8,11,13-14,20H,6,9-10,12H2,1-3H3.
What are the key properties of 5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 323.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[(1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 50809404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).