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

C17H22N2O2 — CID 42507543

IUPAC[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccccc1-c1nc(CN2CCC[C@H]2CO)c(C)o1
InChIInChI=1S/C17H22N2O2/c1-12-6-3-4-8-15(12)17-18-16(13(2)21-17)10-19-9-5-7-14(19)11-20/h3-4,6,8,14,20H,5,7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyOBBZAICZENQNGI-AWEZNQCLSA-N
MW286.38 g/mol
LogP2.92
Rot. Bonds4

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

[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 42507543) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID42507543
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccccc1-c1nc(CN2CCC[C@H]2CO)c(C)o1
InChIInChI=1S/C17H22N2O2/c1-12-6-3-4-8-15(12)17-18-16(13(2)21-17)10-19-9-5-7-14(19)11-20/h3-4,6,8,14,20H,5,7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyOBBZAICZENQNGI-AWEZNQCLSA-N
XLogP2.92
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 45208474
ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42240027
[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62014930
[(2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 78916202
[1-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45170995
5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45185948
[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843
ethyl 2-[1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 45189467
ethyl 2-[(2S)-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42453482
2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 29181380
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42453226

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol (CID 42507543) is [(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol is Cc1ccccc1-c1nc(CN2CCC[C@H]2CO)c(C)o1.
What is the InChIKey of [(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is OBBZAICZENQNGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-3-4-8-15(12)17-18-16(13(2)21-17)10-19-9-5-7-14(19)11-20/h3-4,6,8,14,20H,5,7,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 42507543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).