(2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol

C24H31N3O3 — CID 174649481

IUPAC(2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol
SMILESCCc1cc(-c2noc(-c3cc(C)c(CC(C)C)cn3)n2)cc(C[C@H](C)O)c1OC
InChIInChI=1S/C24H31N3O3/c1-7-17-11-19(12-18(10-16(5)28)22(17)29-6)23-26-24(30-27-23)21-9-15(4)20(13-25-21)8-14(2)3/h9,11-14,16,28H,7-8,10H2,1-6H3/t16-/m0/s1
InChIKeyKNUPTRMFLKKKNB-INIZCTEOSA-N
MW409.53 g/mol
LogP4.80
Rot. Bonds8

About (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol

(2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol (PubChem CID 174649481) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol
PubChem CID174649481
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol
SMILESCCc1cc(-c2noc(-c3cc(C)c(CC(C)C)cn3)n2)cc(C[C@H](C)O)c1OC
InChIInChI=1S/C24H31N3O3/c1-7-17-11-19(12-18(10-16(5)28)22(17)29-6)23-26-24(30-27-23)21-9-15(4)20(13-25-21)8-14(2)3/h9,11-14,16,28H,7-8,10H2,1-6H3/t16-/m0/s1
InChIKeyKNUPTRMFLKKKNB-INIZCTEOSA-N
XLogP4.80
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(4S)-5-[2-ethyl-6-methyl-4-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,4-dihydroxypentanamide
CID 140559224
(2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol
CID 175260512
(2S)-3-[2-ethyl-6-methyl-4-[5-[6-methyl-5-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,2-diol
CID 68763893
(2S)-1-amino-3-[2-ethyl-4-[5-[6-ethyl-5-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propan-2-ol
CID 68765562
3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68762745
(2S)-1-amino-3-[2-ethyl-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
CID 68766061
(2R)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68555501
1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol
CID 117329700
N-[3-[2-ethyl-4-[5-[4-methoxy-6-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2,3-dihydroxy-N'-[2-hydroxy-3-[4-[5-[4-methoxy-6-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]butanediamide
CID 90728478
1-amino-3-[2-ethyl-6-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
CID 59234765
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
3-[4-[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
CID 59272939

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol?
The IUPAC name of (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol (CID 174649481) is (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol?
The canonical SMILES for (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol is CCc1cc(-c2noc(-c3cc(C)c(CC(C)C)cn3)n2)cc(C[C@H](C)O)c1OC.
What is the InChIKey of (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol?
The InChIKey is KNUPTRMFLKKKNB-INIZCTEOSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-7-17-11-19(12-18(10-16(5)28)22(17)29-6)23-26-24(30-27-23)21-9-15(4)20(13-25-21)8-14(2)3/h9,11-14,16,28H,7-8,10H2,1-6H3/t16-/m0/s1.
What are the key properties of (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol?
(2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol has a molecular weight of 409.53 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-ethyl-2-methoxy-5-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol is sourced from PubChem (CID 174649481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).