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

C16H20N2O2 — CID 102788920

IUPAC[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2ncc(-c3ccccc3)o2)C1CO
InChIInChI=1S/C16H20N2O2/c1-12-7-8-18(14(12)11-19)10-16-17-9-15(20-16)13-5-3-2-4-6-13/h2-6,9,12,14,19H,7-8,10-11H2,1H3
InChIKeyOFEBHQVVITXEAH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.54
Rot. Bonds4

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

[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 102788920) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID102788920
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2ncc(-c3ccccc3)o2)C1CO
InChIInChI=1S/C16H20N2O2/c1-12-7-8-18(14(12)11-19)10-16-17-9-15(20-16)13-5-3-2-4-6-13/h2-6,9,12,14,19H,7-8,10-11H2,1H3
InChIKeyOFEBHQVVITXEAH-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788948
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[6-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102936044
3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467616
[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
2,6-dimethyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 51072746
[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
CID 80505307
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788159
2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole
CID 66210190
[3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788095
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride
CID 119927342

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 102788920) is [3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol is CC1CCN(Cc2ncc(-c3ccccc3)o2)C1CO.
What is the InChIKey of [3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is OFEBHQVVITXEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-7-8-18(14(12)11-19)10-16-17-9-15(20-16)13-5-3-2-4-6-13/h2-6,9,12,14,19H,7-8,10-11H2,1H3.
What are the key properties of [3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).