(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C18H24N4O3 — CID 128965624

IUPAC(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(C)n(C3CC3)c2C)C1
InChIInChI=1S/C18H24N4O3/c1-10-7-15(11(2)22(10)13-5-6-13)18(23)21-9-14(24-4)8-16(21)17-19-12(3)20-25-17/h7,13-14,16H,5-6,8-9H2,1-4H3/t14-,16+/m0/s1
InChIKeyREVQTHOLUHHGSD-GOEBONIOSA-N
MW344.42 g/mol
LogP2.73
Rot. Bonds4

About (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 128965624) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID128965624
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(C)n(C3CC3)c2C)C1
InChIInChI=1S/C18H24N4O3/c1-10-7-15(11(2)22(10)13-5-6-13)18(23)21-9-14(24-4)8-16(21)17-19-12(3)20-25-17/h7,13-14,16H,5-6,8-9H2,1-4H3/t14-,16+/m0/s1
InChIKeyREVQTHOLUHHGSD-GOEBONIOSA-N
XLogP2.73
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-propyl-1H-pyrrol-3-yl)methanone
CID 154760749
(4,5-diethylfuran-2-yl)-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128966074
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129400410
2-[4-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-2,6-dimethylphenoxy]acetic acid
CID 136583905
(5-fluoro-1H-indol-2-yl)-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129004722
(2R,4S)-N-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 129429601
1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 128973006
(2S)-1-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 100629190
2-methoxy-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 128998715
1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-methyl-2-thiophen-2-ylpropan-1-one
CID 129004741
[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
CID 129400417
2-[benzyl(methyl)amino]-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 129004728

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 128965624) is (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(C)n(C3CC3)c2C)C1.
What is the InChIKey of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is REVQTHOLUHHGSD-GOEBONIOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-10-7-15(11(2)22(10)13-5-6-13)18(23)21-9-14(24-4)8-16(21)17-19-12(3)20-25-17/h7,13-14,16H,5-6,8-9H2,1-4H3/t14-,16+/m0/s1.
What are the key properties of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128965624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).