2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide

C24H31N5O6 — CID 68578353

IUPAC2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide
SMILESCOc1cc(OC[C@@H](O)CNC(=O)CO)ccc1-c1noc(-c2cc(C)nc(N(C)C(C)C)c2)n1
InChIInChI=1S/C24H31N5O6/c1-14(2)29(4)21-9-16(8-15(3)26-21)24-27-23(28-35-24)19-7-6-18(10-20(19)33-5)34-13-17(31)11-25-22(32)12-30/h6-10,14,17,30-31H,11-13H2,1-5H3,(H,25,32)/t17-/m0/s1
InChIKeyRNYCKNCFIDNAHM-KRWDZBQOSA-N
MW485.54 g/mol
LogP1.81
Rot. Bonds11

About 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide

2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide (PubChem CID 68578353) has the molecular formula C24H31N5O6 and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide
PubChem CID68578353
Molecular FormulaC24H31N5O6
Molecular Weight485.54 g/mol
Exact Mass485.23
IUPAC Name2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide
SMILESCOc1cc(OC[C@@H](O)CNC(=O)CO)ccc1-c1noc(-c2cc(C)nc(N(C)C(C)C)c2)n1
InChIInChI=1S/C24H31N5O6/c1-14(2)29(4)21-9-16(8-15(3)26-21)24-27-23(28-35-24)19-7-6-18(10-20(19)33-5)34-13-17(31)11-25-22(32)12-30/h6-10,14,17,30-31H,11-13H2,1-5H3,(H,25,32)/t17-/m0/s1
InChIKeyRNYCKNCFIDNAHM-KRWDZBQOSA-N
XLogP1.81
TPSA143.07 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide with MolForge

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Related Compounds

N-[(2R)-3-[4-[3-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25070174
N-[(2S)-3-[2-chloro-6-methoxy-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25030965
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine
CID 68579557
N-[3-[2-ethyl-4-[3-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25031864
N-[3-[4-[5-[4-[(dimethylamino)methyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 66932122
N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 24831542
2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide
CID 25031142
N-[(2R)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68556887
N-[3-[4-[5-[4-[(dimethylamino)methyl]-3-ethylphenyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 66932184
N-[(2R)-3-[2,6-dimethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 24784421
N-[(2S)-3-[2-ethyl-4-[5-(2-methoxy-6-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 127046183
N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 42607024

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide?
The IUPAC name of 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide (CID 68578353) is 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide is COc1cc(OC[C@@H](O)CNC(=O)CO)ccc1-c1noc(-c2cc(C)nc(N(C)C(C)C)c2)n1.
What is the InChIKey of 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide?
The InChIKey is RNYCKNCFIDNAHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31N5O6/c1-14(2)29(4)21-9-16(8-15(3)26-21)24-27-23(28-35-24)19-7-6-18(10-20(19)33-5)34-13-17(31)11-25-22(32)12-30/h6-10,14,17,30-31H,11-13H2,1-5H3,(H,25,32)/t17-/m0/s1.
What are the key properties of 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide?
2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 1.81, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2S)-2-hydroxy-3-[3-methoxy-4-[5-[2-methyl-6-[methyl(propan-2-yl)amino]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propyl]acetamide is sourced from PubChem (CID 68578353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).