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

C16H20N2O2 — CID 62372265

IUPAC[1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol
SMILESCc1ccc(-c2cc(CN3CCC(CO)C3)on2)cc1
InChIInChI=1S/C16H20N2O2/c1-12-2-4-14(5-3-12)16-8-15(20-17-16)10-18-7-6-13(9-18)11-19/h2-5,8,13,19H,6-7,9-11H2,1H3
InChIKeyJSDUVCSWQATLOD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.46
Rot. Bonds4

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

[1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 62372265) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID62372265
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol
SMILESCc1ccc(-c2cc(CN3CCC(CO)C3)on2)cc1
InChIInChI=1S/C16H20N2O2/c1-12-2-4-14(5-3-12)16-8-15(20-17-16)10-18-7-6-13(9-18)11-19/h2-5,8,13,19H,6-7,9-11H2,1H3
InChIKeyJSDUVCSWQATLOD-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
CID 81493074
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370851
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
3-(4-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 65449393
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 136563170
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]methanol
CID 66191154
[(3R,5S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(pyrrolidin-1-ylmethyl)piperidin-3-yl]methanol
CID 133114523
(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid;formic acid
CID 163341431
(3S,4R)-4-(3-methylthiophen-2-yl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-3-ol
CID 50951604
[(3S)-1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 97158378
(1R,3S)-3-methoxy-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70746644

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol (CID 62372265) is [1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol is Cc1ccc(-c2cc(CN3CCC(CO)C3)on2)cc1.
What is the InChIKey of [1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is JSDUVCSWQATLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-2-4-14(5-3-12)16-8-15(20-17-16)10-18-7-6-13(9-18)11-19/h2-5,8,13,19H,6-7,9-11H2,1H3.
What are the key properties of [1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol?
[1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62372265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).