4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine

C26H29N5O2 — CID 95922631

IUPAC4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
SMILESCCc1cccc(Nc2nc(C)cc(OCc3nc(-c4ccc(C(C)(C)C)cc4)no3)n2)c1
InChIInChI=1S/C26H29N5O2/c1-6-18-8-7-9-21(15-18)28-25-27-17(2)14-22(30-25)32-16-23-29-24(31-33-23)19-10-12-20(13-11-19)26(3,4)5/h7-15H,6,16H2,1-5H3,(H,27,28,30)
InChIKeyARMKZCKQXYBEPQ-UHFFFAOYSA-N
MW443.55 g/mol
LogP6.02
Rot. Bonds7

About 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine

4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine (PubChem CID 95922631) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
PubChem CID95922631
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
SMILESCCc1cccc(Nc2nc(C)cc(OCc3nc(-c4ccc(C(C)(C)C)cc4)no3)n2)c1
InChIInChI=1S/C26H29N5O2/c1-6-18-8-7-9-21(15-18)28-25-27-17(2)14-22(30-25)32-16-23-29-24(31-33-23)19-10-12-20(13-11-19)26(3,4)5/h7-15H,6,16H2,1-5H3,(H,27,28,30)
InChIKeyARMKZCKQXYBEPQ-UHFFFAOYSA-N
XLogP6.02
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-5-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole
CID 95923148
3-(4-tert-butylphenyl)-5-[[2,6-di(propan-2-yl)pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole
CID 95923485
N-(3-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidin-2-amine
CID 95922726
4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
CID 58910370
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936
4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30029077
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
5-[(4-ethylphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8895405
5-[(4-tert-butylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1085872
N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136811
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 100746776
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine (CID 95922631) is 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine is CCc1cccc(Nc2nc(C)cc(OCc3nc(-c4ccc(C(C)(C)C)cc4)no3)n2)c1.
What is the InChIKey of 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is ARMKZCKQXYBEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-6-18-8-7-9-21(15-18)28-25-27-17(2)14-22(30-25)32-16-23-29-24(31-33-23)19-10-12-20(13-11-19)26(3,4)5/h7-15H,6,16H2,1-5H3,(H,27,28,30).
What are the key properties of 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine?
4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 443.55 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 95922631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).