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

C22H22N2O3 — CID 51612927

IUPAC[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3C)on2)cc1
InChIInChI=1S/C22H22N2O3/c1-15-6-3-4-7-18(15)20-8-5-13-24(20)22(25)21-14-19(23-27-21)16-9-11-17(26-2)12-10-16/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3/t20-/m0/s1
InChIKeyNLRSMLRGEQCDJV-FQEVSTJZSA-N
MW362.43 g/mol
LogP4.64
Rot. Bonds4

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

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 51612927) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID51612927
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3C)on2)cc1
InChIInChI=1S/C22H22N2O3/c1-15-6-3-4-7-18(15)20-8-5-13-24(20)22(25)21-14-19(23-27-21)16-9-11-17(26-2)12-10-16/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3/t20-/m0/s1
InChIKeyNLRSMLRGEQCDJV-FQEVSTJZSA-N
XLogP4.64
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 51611901
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51855884
[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]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92736273
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731587
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46266441
[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 110120704
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46472002
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809265
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 51550762

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 51612927) is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3C)on2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is NLRSMLRGEQCDJV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-6-3-4-7-18(15)20-8-5-13-24(20)22(25)21-14-19(23-27-21)16-9-11-17(26-2)12-10-16/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3/t20-/m0/s1.
What are the key properties of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51612927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).