1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol

C22H25ClN2O4 — CID 24843477

IUPAC1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
SMILESCc1noc(COc2ccccc2OCC(O)CNCCc2ccccc2)c1Cl
InChIInChI=1S/C22H25ClN2O4/c1-16-22(23)21(29-25-16)15-28-20-10-6-5-9-19(20)27-14-18(26)13-24-12-11-17-7-3-2-4-8-17/h2-10,18,24,26H,11-15H2,1H3
InChIKeyGPZMVBWAIYBXEI-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.79
Rot. Bonds11

About 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol

1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol (PubChem CID 24843477) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
PubChem CID24843477
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
SMILESCc1noc(COc2ccccc2OCC(O)CNCCc2ccccc2)c1Cl
InChIInChI=1S/C22H25ClN2O4/c1-16-22(23)21(29-25-16)15-28-20-10-6-5-9-19(20)27-14-18(26)13-24-12-11-17-7-3-2-4-8-17/h2-10,18,24,26H,11-15H2,1H3
InChIKeyGPZMVBWAIYBXEI-UHFFFAOYSA-N
XLogP3.79
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
N-[4-[2-[[2-hydroxy-3-(2-phenylmethoxyphenoxy)propyl]amino]ethyl]phenyl]quinoline-8-sulfonamide
CID 19384987
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 78974915
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
N-[4-[2-[[2-hydroxy-3-(2-phenylmethoxyphenoxy)propyl]amino]ethyl]phenyl]naphthalene-2-sulfonamide
CID 19384980
1-(2-methylphenoxy)-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 103006161
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol?
The IUPAC name of 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol (CID 24843477) is 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol.
What is the SMILES notation for 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol?
The canonical SMILES for 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol is Cc1noc(COc2ccccc2OCC(O)CNCCc2ccccc2)c1Cl.
What is the InChIKey of 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol?
The InChIKey is GPZMVBWAIYBXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-16-22(23)21(29-25-16)15-28-20-10-6-5-9-19(20)27-14-18(26)13-24-12-11-17-7-3-2-4-8-17/h2-10,18,24,26H,11-15H2,1H3.
What are the key properties of 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol?
1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol has a molecular weight of 416.91 g/mol, XLogP of 3.79, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol is sourced from PubChem (CID 24843477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).