[(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium

C16H23N4O4+ — CID 7035763

IUPAC[(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium
SMILESCc1noc(C(=O)Nc2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)n1
InChIInChI=1S/C16H22N4O4/c1-10(2)17-8-13(21)9-23-14-6-4-12(5-7-14)19-15(22)16-18-11(3)20-24-16/h4-7,10,13,17,21H,8-9H2,1-3H3,(H,19,22)/p+1/t13-/m1/s1
InChIKeyKYSVAOKCJIVKIE-CYBMUJFWSA-O
MW335.38 g/mol
LogP0.34
Rot. Bonds8

About [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium

[(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium (PubChem CID 7035763) has the molecular formula C16H23N4O4+ and a molecular weight of 335.38 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium
PubChem CID7035763
Molecular FormulaC16H23N4O4+
Molecular Weight335.38 g/mol
Exact Mass335.17
IUPAC Name[(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium
SMILESCc1noc(C(=O)Nc2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)n1
InChIInChI=1S/C16H22N4O4/c1-10(2)17-8-13(21)9-23-14-6-4-12(5-7-14)19-15(22)16-18-11(3)20-24-16/h4-7,10,13,17,21H,8-9H2,1-3H3,(H,19,22)/p+1/t13-/m1/s1
InChIKeyKYSVAOKCJIVKIE-CYBMUJFWSA-O
XLogP0.34
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium with MolForge

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Related Compounds

[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
CID 6922817
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6940656
[(2R)-2-hydroxy-3-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]-propan-2-ylazanium
CID 6922830
[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7721871
N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 120867431
2-methyl-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]anilino]-3-oxopropanoic acid
CID 122099641
N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
CID 36970741
[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propyl]-propan-2-ylazanium
CID 36688099
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95306662
[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187889

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium?
The IUPAC name of [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium (CID 7035763) is [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium.
What is the SMILES notation for [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium?
The canonical SMILES for [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium is Cc1noc(C(=O)Nc2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)n1.
What is the InChIKey of [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium?
The InChIKey is KYSVAOKCJIVKIE-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H22N4O4/c1-10(2)17-8-13(21)9-23-14-6-4-12(5-7-14)19-15(22)16-18-11(3)20-24-16/h4-7,10,13,17,21H,8-9H2,1-3H3,(H,19,22)/p+1/t13-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium?
[(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium has a molecular weight of 335.38 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-[4-[(3-methyl-1,2,4-oxadiazole-5-carbonyl)amino]phenoxy]propyl]-propan-2-ylazanium is sourced from PubChem (CID 7035763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).