3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole

C28H37N3O5 — CID 67491489

IUPAC3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1cc(-c2noc(-c3cc(OC)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C28H37N3O5/c1-8-18(9-2)23-13-21(14-24(29-23)32-7)27-30-26(31-36-27)20-11-17(4)25(19(10-3)12-20)33-15-22-16-34-28(5,6)35-22/h11-14,18,22H,8-10,15-16H2,1-7H3/t22-/m1/s1
InChIKeyHKCRQEYWIXANCU-JOCHJYFZSA-N
MW495.62 g/mol
LogP6.11
Rot. Bonds10

About 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole

3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 67491489) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID67491489
Molecular FormulaC28H37N3O5
Molecular Weight495.62 g/mol
Exact Mass495.27
IUPAC Name3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1cc(-c2noc(-c3cc(OC)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C28H37N3O5/c1-8-18(9-2)23-13-21(14-24(29-23)32-7)27-30-26(31-36-27)20-11-17(4)25(19(10-3)12-20)33-15-22-16-34-28(5,6)35-22/h11-14,18,22H,8-10,15-16H2,1-7H3/t22-/m1/s1
InChIKeyHKCRQEYWIXANCU-JOCHJYFZSA-N
XLogP6.11
TPSA88.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-ethyl-5-methylphenyl]-5-(4-methyl-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 68631072
N-[(2S)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide;(2S)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol;N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide;(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,2-diol
CID 161416178
4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylbenzonitrile
CID 67491300
1-[3-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propylamino]ethanol
CID 172808483
(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
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
(4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide
CID 140634640
N'-[(2-cyclopentyl-6-methoxy-4-pyridinyl)methoxy]-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylbenzenecarboximidamide
CID 172684501
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-[(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
(4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide
CID 140546365
2-N,6-N-diethyl-4-[3-(3-ethyl-5-methyl-4-propoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2,6-diamine
CID 174629246

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole (CID 67491489) is 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole is CCc1cc(-c2noc(-c3cc(OC)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H]1COC(C)(C)O1.
What is the InChIKey of 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is HKCRQEYWIXANCU-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-8-18(9-2)23-13-21(14-24(29-23)32-7)27-30-26(31-36-27)20-11-17(4)25(19(10-3)12-20)33-15-22-16-34-28(5,6)35-22/h11-14,18,22H,8-10,15-16H2,1-7H3/t22-/m1/s1.
What are the key properties of 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole?
3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 495.62 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-5-methylphenyl]-5-(2-methoxy-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 67491489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).