2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol

C17H24N2O2 — CID 99703169

IUPAC2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol
SMILESCC[C@H](N[C@@H](CC)c1c(C)noc1C)c1ccccc1O
InChIInChI=1S/C17H24N2O2/c1-5-14(13-9-7-8-10-16(13)20)18-15(6-2)17-11(3)19-21-12(17)4/h7-10,14-15,18,20H,5-6H2,1-4H3/t14-,15-/m0/s1
InChIKeyDAABVQHEXZBHOD-GJZGRUSLSA-N
MW288.39 g/mol
LogP4.19
Rot. Bonds6

About 2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol

2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol (PubChem CID 99703169) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol.

Molecular Properties

Compound Name2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol
PubChem CID99703169
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol
SMILESCC[C@H](N[C@@H](CC)c1c(C)noc1C)c1ccccc1O
InChIInChI=1S/C17H24N2O2/c1-5-14(13-9-7-8-10-16(13)20)18-15(6-2)17-11(3)19-21-12(17)4/h7-10,14-15,18,20H,5-6H2,1-4H3/t14-,15-/m0/s1
InChIKeyDAABVQHEXZBHOD-GJZGRUSLSA-N
XLogP4.19
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]propyl]phenol
CID 102561803
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pentan-3-amine
CID 115896745
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 75441563
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-2-oxoethyl]benzoic acid
CID 120699128
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine
CID 115888090
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine
CID 115896742
1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
CID 79040582

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol?
The IUPAC name of 2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol (CID 99703169) is 2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol.
What is the SMILES notation for 2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol?
The canonical SMILES for 2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol is CC[C@H](N[C@@H](CC)c1c(C)noc1C)c1ccccc1O.
What is the InChIKey of 2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol?
The InChIKey is DAABVQHEXZBHOD-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-14(13-9-7-8-10-16(13)20)18-15(6-2)17-11(3)19-21-12(17)4/h7-10,14-15,18,20H,5-6H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of 2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol?
2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol has a molecular weight of 288.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol is sourced from PubChem (CID 99703169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).