[3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone

C24H24N4O2 — CID 131638512

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)C1
InChIInChI=1S/C24H24N4O2/c1-26(2)20-10-11-27(14-20)24(29)21-12-19-9-8-18(17-6-4-3-5-7-17)13-28(19)23(21)22-15-30-16-25-22/h3-9,12-13,15-16,20H,10-11,14H2,1-2H3
InChIKeyJYGITZGKGHRELO-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.04
Rot. Bonds4

About [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone (PubChem CID 131638512) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone
PubChem CID131638512
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)C1
InChIInChI=1S/C24H24N4O2/c1-26(2)20-10-11-27(14-20)24(29)21-12-19-9-8-18(17-6-4-3-5-7-17)13-28(19)23(21)22-15-30-16-25-22/h3-9,12-13,15-16,20H,10-11,14H2,1-2H3
InChIKeyJYGITZGKGHRELO-UHFFFAOYSA-N
XLogP4.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone with MolForge

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Related Compounds

1-[6-(4-fluorophenyl)-3-(1,3-oxazol-4-yl)indolizin-2-yl]-3-morpholin-4-ylpropan-1-one
CID 134690437
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
CID 24794963
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
CID 125179666
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone
CID 97446982
[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 97446891
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone
CID 97446851
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
(3-bromo-2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 113362425
[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165923

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone (CID 131638512) is [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone is CN(C)C1CCN(C(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone?
The InChIKey is JYGITZGKGHRELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-26(2)20-10-11-27(14-20)24(29)21-12-19-9-8-18(17-6-4-3-5-7-17)13-28(19)23(21)22-15-30-16-25-22/h3-9,12-13,15-16,20H,10-11,14H2,1-2H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone has a molecular weight of 400.48 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[3-(1,3-oxazol-4-yl)-6-phenylindolizin-2-yl]methanone is sourced from PubChem (CID 131638512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).