[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C19H19N3O4 — CID 92731587

IUPAC[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3cc(C)on3)on2)c1
InChIInChI=1S/C19H19N3O4/c1-12-9-16(21-25-12)17-7-4-8-22(17)19(23)18-11-15(20-26-18)13-5-3-6-14(10-13)24-2/h3,5-6,9-11,17H,4,7-8H2,1-2H3/t17-/m0/s1
InChIKeyCSIHRKHAHGBATF-KRWDZBQOSA-N
MW353.38 g/mol
LogP3.62
Rot. Bonds4

About [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 92731587) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID92731587
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3cc(C)on3)on2)c1
InChIInChI=1S/C19H19N3O4/c1-12-9-16(21-25-12)17-7-4-8-22(17)19(23)18-11-15(20-26-18)13-5-3-6-14(10-13)24-2/h3,5-6,9-11,17H,4,7-8H2,1-2H3/t17-/m0/s1
InChIKeyCSIHRKHAHGBATF-KRWDZBQOSA-N
XLogP3.62
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92736273
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46266458
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809265
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46472002
[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 92628171
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51612927
[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 132780071
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92731594
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 51611901
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 110121100
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 146230052

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 92731587) is [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3cc(C)on3)on2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is CSIHRKHAHGBATF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-9-16(21-25-12)17-7-4-8-22(17)19(23)18-11-15(20-26-18)13-5-3-6-14(10-13)24-2/h3,5-6,9-11,17H,4,7-8H2,1-2H3/t17-/m0/s1.
What are the key properties of [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 353.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92731587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).