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

C16H19FN2O2 — CID 29210928

IUPAC[(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1oc(-c2ccc(F)cc2)nc1CN1CCC[C@H]1CO
InChIInChI=1S/C16H19FN2O2/c1-11-15(9-19-8-2-3-14(19)10-20)18-16(21-11)12-4-6-13(17)7-5-12/h4-7,14,20H,2-3,8-10H2,1H3/t14-/m0/s1
InChIKeyNAXIWZODULOWGE-AWEZNQCLSA-N
MW290.34 g/mol
LogP2.75
Rot. Bonds4

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

[(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 29210928) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is [(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID29210928
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name[(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1oc(-c2ccc(F)cc2)nc1CN1CCC[C@H]1CO
InChIInChI=1S/C16H19FN2O2/c1-11-15(9-19-8-2-3-14(19)10-20)18-16(21-11)12-4-6-13(17)7-5-12/h4-7,14,20H,2-3,8-10H2,1H3/t14-/m0/s1
InChIKeyNAXIWZODULOWGE-AWEZNQCLSA-N
XLogP2.75
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-phenyl-4-oxazolecarboxamide
CID 100344
5-Methyl-2-phenyl-4-oxazoleacetic acid
CID 2775139
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
CID 16187589
[(2S)-1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-2-pyrrolidinyl]methanol
CID 16189138
Ethyl 4-[({[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]piperazine-1-carboxylate
CID 3240987
5-Methyl-2-(4-methylphenyl)-4-{[(2-oxo-2-pyrrolidin-1-ylethyl)thio]methyl}-1,3-oxazole
CID 3243729
2-(4-(Ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11584508
1,1,1,3,3,3-Hexafluoro-2-(4-(((5-methyl-2-(3-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)(2,2,2-trifluoroethyl)amino)phenyl)propan-2-ol
CID 11592304
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxamide
CID 16069103
N,N-Dimethyl-O-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-L-tyrosine
CID 44335992
N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 71768510

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol (CID 29210928) is [(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol is Cc1oc(-c2ccc(F)cc2)nc1CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is NAXIWZODULOWGE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11-15(9-19-8-2-3-14(19)10-20)18-16(21-11)12-4-6-13(17)7-5-12/h4-7,14,20H,2-3,8-10H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 290.34 g/mol, XLogP of 2.75, 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-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 29210928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).