2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol

C53H59N7O6S — CID 159869231

IUPAC2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol
SMILESCC(C)C(C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2ncccn2)cn1.CC(C)C(C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2nccs2)cn1
InChIInChI=1S/C27H30N4O3.C26H29N3O3S/c1-18(2)27(5,23-12-11-21(16-30-23)33-17-25-28-13-6-14-29-25)20-9-7-19(8-10-20)22-15-24(31-34-22)26(3,4)32;1-17(2)26(5,22-11-10-20(15-28-22)31-16-24-27-12-13-33-24)19-8-6-18(7-9-19)21-14-23(29-32-21)25(3,4)30/h6-16,18,32H,17H2,1-5H3;6-15,17,30H,16H2,1-5H3
InChIKeyNSCWJZCUFJIMFR-UHFFFAOYSA-N
MW922.16 g/mol
LogP11.26
Rot. Bonds16

About 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol

2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol (PubChem CID 159869231) has the molecular formula C53H59N7O6S and a molecular weight of 922.16 g/mol. Its IUPAC name is 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol
PubChem CID159869231
Molecular FormulaC53H59N7O6S
Molecular Weight922.16 g/mol
Exact Mass921.42
IUPAC Name2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol
SMILESCC(C)C(C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2ncccn2)cn1.CC(C)C(C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2nccs2)cn1
InChIInChI=1S/C27H30N4O3.C26H29N3O3S/c1-18(2)27(5,23-12-11-21(16-30-23)33-17-25-28-13-6-14-29-25)20-9-7-19(8-10-20)22-15-24(31-34-22)26(3,4)32;1-17(2)26(5,22-11-10-20(15-28-22)31-16-24-27-12-13-33-24)19-8-6-18(7-9-19)21-14-23(29-32-21)25(3,4)30/h6-16,18,32H,17H2,1-5H3;6-15,17,30H,16H2,1-5H3
InChIKeyNSCWJZCUFJIMFR-UHFFFAOYSA-N
XLogP11.26
TPSA175.43 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500922.16
LogP ≤ 511.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[5-[4-[3-Methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol
CID 57910761
2-[5-[4-[3-Methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol
CID 57910763
1-[3-[4-[2-[5-[[4-[3-[4-[5-(1-Aminocyclopropyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methyl-3-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butyl]pyrimidin-2-yl]methoxy]-2-pyridinyl]-3-methylbutan-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 143562574
4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-tert-butyl-4-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide
CID 159751137
1-[3-[4-[3-Methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;1-[3-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 160492333
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-[10-(2-morpholin-4-ylethoxy)-7-thia-2,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-4-yl]phenyl]propan-2-one
CID 158091420

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol?
The IUPAC name of 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol (CID 159869231) is 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol is CC(C)C(C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2ncccn2)cn1.CC(C)C(C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2nccs2)cn1.
What is the InChIKey of 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol?
The InChIKey is NSCWJZCUFJIMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3.C26H29N3O3S/c1-18(2)27(5,23-12-11-21(16-30-23)33-17-25-28-13-6-14-29-25)20-9-7-19(8-10-20)22-15-24(31-34-22)26(3,4)32;1-17(2)26(5,22-11-10-20(15-28-22)31-16-24-27-12-13-33-24)19-8-6-18(7-9-19)21-14-23(29-32-21)25(3,4)30/h6-16,18,32H,17H2,1-5H3;6-15,17,30H,16H2,1-5H3.
What are the key properties of 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol?
2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol has a molecular weight of 922.16 g/mol, XLogP of 11.26, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[3-methyl-2-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol;2-[5-[4-[3-methyl-2-[5-(1,3-thiazol-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]propan-2-ol is sourced from PubChem (CID 159869231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).