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

C15H18N2O2 — CID 53009621

IUPAC2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
SMILESCc1cc(C2CCCN2Cc2ccccc2O)on1
InChIInChI=1S/C15H18N2O2/c1-11-9-15(19-16-11)13-6-4-8-17(13)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13,18H,4,6,8,10H2,1H3
InChIKeyUHWUWSJSYYGKER-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.03
Rot. Bonds3

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

2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol (PubChem CID 53009621) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
PubChem CID53009621
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
SMILESCc1cc(C2CCCN2Cc2ccccc2O)on1
InChIInChI=1S/C15H18N2O2/c1-11-9-15(19-16-11)13-6-4-8-17(13)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13,18H,4,6,8,10H2,1H3
InChIKeyUHWUWSJSYYGKER-UHFFFAOYSA-N
XLogP3.03
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
5-[(2S)-1-[(2-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584502
2-[[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 93070281
5-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53034979
5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056201
2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732581
5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056207
3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415401
3-methyl-5-[(2S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95997491
3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 77097752
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol (CID 53009621) is 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol is Cc1cc(C2CCCN2Cc2ccccc2O)on1.
What is the InChIKey of 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol?
The InChIKey is UHWUWSJSYYGKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-9-15(19-16-11)13-6-4-8-17(13)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13,18H,4,6,8,10H2,1H3.
What are the key properties of 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol?
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 53009621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).