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

C16H20N2O2 — CID 79028438

IUPAC[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(-c2nc(CN3CCC[C@H]3CO)co2)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-6-13(7-5-12)16-17-14(11-20-16)9-18-8-2-3-15(18)10-19/h4-7,11,15,19H,2-3,8-10H2,1H3/t15-/m0/s1
InChIKeyREHFZPBMLOFMGL-HNNXBMFYSA-N
MW272.35 g/mol
LogP2.61
Rot. Bonds4

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

[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 79028438) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID79028438
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(-c2nc(CN3CCC[C@H]3CO)co2)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-6-13(7-5-12)16-17-14(11-20-16)9-18-8-2-3-15(18)10-19/h4-7,11,15,19H,2-3,8-10H2,1H3/t15-/m0/s1
InChIKeyREHFZPBMLOFMGL-HNNXBMFYSA-N
XLogP2.61
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81496163
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911451
4-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 51934772
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916281
4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 86953301
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 56662511
2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol
CID 167909389
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 111106797
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925586
4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 80703344
2-(4-fluorophenyl)-4-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 94136515

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol (CID 79028438) is [(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol is Cc1ccc(-c2nc(CN3CCC[C@H]3CO)co2)cc1.
What is the InChIKey of [(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is REHFZPBMLOFMGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-4-6-13(7-5-12)16-17-14(11-20-16)9-18-8-2-3-15(18)10-19/h4-7,11,15,19H,2-3,8-10H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79028438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).