[1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol

C19H22N4O2 — CID 154779704

IUPAC[1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol
SMILESCn1cc(-c2cc(CN3CCC(CO)(c4ccccc4)C3)on2)cn1
InChIInChI=1S/C19H22N4O2/c1-22-11-15(10-20-22)18-9-17(25-21-18)12-23-8-7-19(13-23,14-24)16-5-3-2-4-6-16/h2-6,9-11,24H,7-8,12-14H2,1H3
InChIKeyBFAUBACRXXSFPA-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.21
Rot. Bonds5

About [1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol

[1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol (PubChem CID 154779704) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol
PubChem CID154779704
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol
SMILESCn1cc(-c2cc(CN3CCC(CO)(c4ccccc4)C3)on2)cn1
InChIInChI=1S/C19H22N4O2/c1-22-11-15(10-20-22)18-9-17(25-21-18)12-23-8-7-19(13-23,14-24)16-5-3-2-4-6-16/h2-6,9-11,24H,7-8,12-14H2,1H3
InChIKeyBFAUBACRXXSFPA-UHFFFAOYSA-N
XLogP2.21
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-(hydroxymethyl)benzyl)imidazolidine-2,4-dione
CID 57422454
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-(hydroxymethyl)benzyl)-5,5-dimethylimidazolidine-2,4-dione
CID 53373961
2-(4-methylpyrazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 53624511
3-Methyl-5-{1-[(3-phenyl-1H-pyrazol-4-YL)methyl]pyrrolidin-2-YL}-1,2-oxazole
CID 53034963
N,N-bis[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53623578
2-Methyl-4-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-phenylmorpholine
CID 121532544
N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline
CID 126779130
[(1R)-2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
CID 164640886
1-[[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 69361406
(2S,4R)-N-[3-fluoro-4-(2-methylpyrazol-3-yl)phenoxy]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CID 142572941
N-[2-fluoro-4-(2-methylpyrazol-3-yl)phenoxy]-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CID 142572977
(2S,4R)-N-[2-fluoro-4-(2-methylpyrazol-3-yl)phenoxy]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CID 142573103

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol (CID 154779704) is [1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol is Cn1cc(-c2cc(CN3CCC(CO)(c4ccccc4)C3)on2)cn1.
What is the InChIKey of [1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol?
The InChIKey is BFAUBACRXXSFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-11-15(10-20-22)18-9-17(25-21-18)12-23-8-7-19(13-23,14-24)16-5-3-2-4-6-16/h2-6,9-11,24H,7-8,12-14H2,1H3.
What are the key properties of [1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol?
[1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol has a molecular weight of 338.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 154779704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).