(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol

C15H20N2O2 — CID 102610247

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
SMILESCc1noc(C)c1CN[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11-15(12(2)19-17-11)9-16-14(10-18)8-13-6-4-3-5-7-13/h3-7,14,16,18H,8-10H2,1-2H3/t14-/m0/s1
InChIKeyIDNQMHCNAGAVFX-AWEZNQCLSA-N
MW260.34 g/mol
LogP1.98
Rot. Bonds6

About (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 102610247) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID102610247
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
SMILESCc1noc(C)c1CN[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11-15(12(2)19-17-11)9-16-14(10-18)8-13-6-4-3-5-7-13/h3-7,14,16,18H,8-10H2,1-2H3/t14-/m0/s1
InChIKeyIDNQMHCNAGAVFX-AWEZNQCLSA-N
XLogP1.98
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63260892
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol
CID 28781690
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111108502
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111976858
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 102835691
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 115712429
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667
(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
CID 107860780
4-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103251242
(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 107860714

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol (CID 102610247) is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol is Cc1noc(C)c1CN[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is IDNQMHCNAGAVFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-15(12(2)19-17-11)9-16-14(10-18)8-13-6-4-3-5-7-13/h3-7,14,16,18H,8-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol?
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 102610247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).