4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

C17H22N2O2 — CID 92732569

IUPAC4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(CN2CCC[C@H]2c2c(C)noc2C)cc1
InChIInChI=1S/C17H22N2O2/c1-12-17(13(2)21-18-12)16-5-4-10-19(16)11-14-6-8-15(20-3)9-7-14/h6-9,16H,4-5,10-11H2,1-3H3/t16-/m0/s1
InChIKeyCGXNITULAKXWEQ-INIZCTEOSA-N
MW286.38 g/mol
LogP3.64
Rot. Bonds4

About 4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 92732569) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID92732569
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(CN2CCC[C@H]2c2c(C)noc2C)cc1
InChIInChI=1S/C17H22N2O2/c1-12-17(13(2)21-18-12)16-5-4-10-19(16)11-14-6-8-15(20-3)9-7-14/h6-9,16H,4-5,10-11H2,1-3H3/t16-/m0/s1
InChIKeyCGXNITULAKXWEQ-INIZCTEOSA-N
XLogP3.64
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
CID 50809373
3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 95124993
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 50808669
3,5-dimethyl-4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92502967
3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732564
4-[(2S)-1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732091
N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 77080114
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
2-[4-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-ethoxyphenoxy]acetamide
CID 92732400

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 92732569) is 4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is COc1ccc(CN2CCC[C@H]2c2c(C)noc2C)cc1.
What is the InChIKey of 4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is CGXNITULAKXWEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-17(13(2)21-18-12)16-5-4-10-19(16)11-14-6-8-15(20-3)9-7-14/h6-9,16H,4-5,10-11H2,1-3H3/t16-/m0/s1.
What are the key properties of 4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 286.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 92732569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).