[(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium

C18H25N2O3+ — CID 6922830

IUPAC[(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium
SMILESCc1cc(/C=C/c2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)on1
InChIInChI=1S/C18H24N2O3/c1-13(2)19-11-16(21)12-22-17-7-4-15(5-8-17)6-9-18-10-14(3)20-23-18/h4-10,13,16,19,21H,11-12H2,1-3H3/p+1/b9-6+/t16-/m1/s1
InChIKeyOTVISUXBMRTEMX-YXMGTMDOSA-O
MW317.41 g/mol
LogP1.86
Rot. Bonds8

About [(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium

[(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium (PubChem CID 6922830) has the molecular formula C18H25N2O3+ and a molecular weight of 317.41 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium
PubChem CID6922830
Molecular FormulaC18H25N2O3+
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name[(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium
SMILESCc1cc(/C=C/c2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)on1
InChIInChI=1S/C18H24N2O3/c1-13(2)19-11-16(21)12-22-17-7-4-15(5-8-17)6-9-18-10-14(3)20-23-18/h4-10,13,16,19,21H,11-12H2,1-3H3/p+1/b9-6+/t16-/m1/s1
InChIKeyOTVISUXBMRTEMX-YXMGTMDOSA-O
XLogP1.86
TPSA72.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
CID 6922817
[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7721871
[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6940656
[(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium
CID 7035763
[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propyl]-propan-2-ylazanium
CID 36688099
1-(tert-butylamino)-3-[2-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
CID 70568438
[(2S)-3-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 86308160
3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol
CID 23132622
1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
CID 12894261
[2-hydroxy-3-(3,4,5-trimethoxyphenoxy)propyl]-propan-2-ylazanium chloride
CID 110184547
[(2R)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 36688098

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium?
The IUPAC name of [(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium (CID 6922830) is [(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium.
What is the SMILES notation for [(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium?
The canonical SMILES for [(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium is Cc1cc(/C=C/c2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)on1.
What is the InChIKey of [(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium?
The InChIKey is OTVISUXBMRTEMX-YXMGTMDOSA-O. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)19-11-16(21)12-22-17-7-4-15(5-8-17)6-9-18-10-14(3)20-23-18/h4-10,13,16,19,21H,11-12H2,1-3H3/p+1/b9-6+/t16-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium?
[(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium has a molecular weight of 317.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium is sourced from PubChem (CID 6922830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).