2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one

C24H27N5O4S — CID 137359463

IUPAC2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one
SMILESCCCCc1nc(O)c(-c2nnc(Cc3csc(C)n3)o2)c(=O)n1[C@@H](COC)c1ccccc1
InChIInChI=1S/C24H27N5O4S/c1-4-5-11-19-26-22(30)21(23-28-27-20(33-23)12-17-14-34-15(2)25-17)24(31)29(19)18(13-32-3)16-9-7-6-8-10-16/h6-10,14,18,30H,4-5,11-13H2,1-3H3/t18-/m0/s1
InChIKeyFMSMIHBDXGRQEP-SFHVURJKSA-N
MW481.58 g/mol
LogP3.93
Rot. Bonds10

About 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one

2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one (PubChem CID 137359463) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one
PubChem CID137359463
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one
SMILESCCCCc1nc(O)c(-c2nnc(Cc3csc(C)n3)o2)c(=O)n1[C@@H](COC)c1ccccc1
InChIInChI=1S/C24H27N5O4S/c1-4-5-11-19-26-22(30)21(23-28-27-20(33-23)12-17-14-34-15(2)25-17)24(31)29(19)18(13-32-3)16-9-7-6-8-10-16/h6-10,14,18,30H,4-5,11-13H2,1-3H3/t18-/m0/s1
InChIKeyFMSMIHBDXGRQEP-SFHVURJKSA-N
XLogP3.93
TPSA116.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one with MolForge

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Related Compounds

2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one
CID 137359670
2-butyl-5-[4-(5-chloro-2-oxo-1-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]pyrimidin-4-one
CID 138697857
2-butyl-5-[4-(6-fluoro-2-methyl-3-pyridinyl)phenyl]sulfonyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]pyrimidin-4-one
CID 138697459
6-butyl-4-hydroxy-3-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-5-(3-pyrrolidin-1-ylphenyl)-1H-pyridin-2-one
CID 137106186
2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-one
CID 137359413
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 7810373
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16607109
N-methyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7810425
2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 136530298
N'-[2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 7810350
N-(cyanomethyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 29432768
N-(2-methoxy-5-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 17478774

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one?
The IUPAC name of 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one (CID 137359463) is 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one?
The canonical SMILES for 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one is CCCCc1nc(O)c(-c2nnc(Cc3csc(C)n3)o2)c(=O)n1[C@@H](COC)c1ccccc1.
What is the InChIKey of 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one?
The InChIKey is FMSMIHBDXGRQEP-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-4-5-11-19-26-22(30)21(23-28-27-20(33-23)12-17-14-34-15(2)25-17)24(31)29(19)18(13-32-3)16-9-7-6-8-10-16/h6-10,14,18,30H,4-5,11-13H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one?
2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one has a molecular weight of 481.58 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one is sourced from PubChem (CID 137359463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).