1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol

C20H22N2O2 — CID 70837832

IUPAC1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol
SMILESCN(Cc1ccccc1)Cc1cnc(C(C)(O)c2ccccc2)o1
InChIInChI=1S/C20H22N2O2/c1-20(23,17-11-7-4-8-12-17)19-21-13-18(24-19)15-22(2)14-16-9-5-3-6-10-16/h3-13,23H,14-15H2,1-2H3
InChIKeyVRYHOCHSDTWMSA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.56
Rot. Bonds6

About 1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol

1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol (PubChem CID 70837832) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol
PubChem CID70837832
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol
SMILESCN(Cc1ccccc1)Cc1cnc(C(C)(O)c2ccccc2)o1
InChIInChI=1S/C20H22N2O2/c1-20(23,17-11-7-4-8-12-17)19-21-13-18(24-19)15-22(2)14-16-9-5-3-6-10-16/h3-13,23H,14-15H2,1-2H3
InChIKeyVRYHOCHSDTWMSA-UHFFFAOYSA-N
XLogP3.56
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]propoxy]benzaldehyde
CID 87720668
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
CID 89018089
CID 89018089
(R)-cyclohexyl-[5-[[8-methoxyoctyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-phenylmethanol
CID 70790454
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62263027
[5-[2-(methylamino)ethyl]-1,3-oxazol-2-yl]-diphenylmethanol
CID 69168928
N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine
CID 174388884
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol
CID 124808457
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
CID 70515525

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol?
The IUPAC name of 1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol (CID 70837832) is 1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol.
What is the SMILES notation for 1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol?
The canonical SMILES for 1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol is CN(Cc1ccccc1)Cc1cnc(C(C)(O)c2ccccc2)o1.
What is the InChIKey of 1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol?
The InChIKey is VRYHOCHSDTWMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-20(23,17-11-7-4-8-12-17)19-21-13-18(24-19)15-22(2)14-16-9-5-3-6-10-16/h3-13,23H,14-15H2,1-2H3.
What are the key properties of 1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol?
1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol has a molecular weight of 322.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[benzyl(methyl)amino]methyl]-1,3-oxazol-2-yl]-1-phenylethanol is sourced from PubChem (CID 70837832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).