[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C22H22N2O4 — CID 146230052

IUPAC[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2cc(-c3cccc(OC)c3)on2)cc1
InChIInChI=1S/C22H22N2O4/c1-26-17-10-8-15(9-11-17)20-7-4-12-24(20)22(25)19-14-21(28-23-19)16-5-3-6-18(13-16)27-2/h3,5-6,8-11,13-14,20H,4,7,12H2,1-2H3
InChIKeyZSHZNYMZMFWODV-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.34
Rot. Bonds5

About [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 146230052) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID146230052
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2cc(-c3cccc(OC)c3)on2)cc1
InChIInChI=1S/C22H22N2O4/c1-26-17-10-8-15(9-11-17)20-7-4-12-24(20)22(25)19-14-21(28-23-19)16-5-3-6-18(13-16)27-2/h3,5-6,8-11,13-14,20H,4,7,12H2,1-2H3
InChIKeyZSHZNYMZMFWODV-UHFFFAOYSA-N
XLogP4.34
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856197
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92736273
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51855646
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42921796
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[5-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,2-oxazol-3-yl]methanone
CID 146230060
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51855884
[(2S)-2-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 124954853
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92893460
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856579
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856580
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70770427

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 146230052) is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCCN2C(=O)c2cc(-c3cccc(OC)c3)on2)cc1.
What is the InChIKey of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZSHZNYMZMFWODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-17-10-8-15(9-11-17)20-7-4-12-24(20)22(25)19-14-21(28-23-19)16-5-3-6-18(13-16)27-2/h3,5-6,8-11,13-14,20H,4,7,12H2,1-2H3.
What are the key properties of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146230052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).