[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone

C19H24N2O4 — CID 49028493

IUPAC[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCCC3C(C)C)no2)c1
InChIInChI=1S/C19H24N2O4/c1-12(2)16-6-5-9-21(16)19(22)15-11-18(25-20-15)14-10-13(23-3)7-8-17(14)24-4/h7-8,10-12,16H,5-6,9H2,1-4H3
InChIKeyLLBKRYVTRHLKPN-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.62
Rot. Bonds5

About [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone

[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 49028493) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID49028493
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCCC3C(C)C)no2)c1
InChIInChI=1S/C19H24N2O4/c1-12(2)16-6-5-9-21(16)19(22)15-11-18(25-20-15)14-10-13(23-3)7-8-17(14)24-4/h7-8,10-12,16H,5-6,9H2,1-4H3
InChIKeyLLBKRYVTRHLKPN-UHFFFAOYSA-N
XLogP3.62
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 5128006
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42921796
[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 49025532
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94461388
[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51856413
N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 93143963
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 146230052
N-(1-cyclopropyl-2-methoxyethyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 126791281
5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 92901994
(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338789

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone (CID 49028493) is [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone is COc1ccc(OC)c(-c2cc(C(=O)N3CCCC3C(C)C)no2)c1.
What is the InChIKey of [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is LLBKRYVTRHLKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(2)16-6-5-9-21(16)19(22)15-11-18(25-20-15)14-10-13(23-3)7-8-17(14)24-4/h7-8,10-12,16H,5-6,9H2,1-4H3.
What are the key properties of [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 344.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 49028493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).