1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione

C25H27N5O3S — CID 23857613

IUPAC1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)n1
InChIInChI=1S/C25H27N5O3S/c1-16-21(22(27-33-16)17-7-5-4-6-8-17)20-15-34-23(26-20)18-9-11-30(12-10-18)14-19-13-28(2)25(32)29(3)24(19)31/h4-8,13,15,18H,9-12,14H2,1-3H3
InChIKeyVFAJEWZRBISZMK-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.55
Rot. Bonds5

About 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione (PubChem CID 23857613) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
PubChem CID23857613
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)n1
InChIInChI=1S/C25H27N5O3S/c1-16-21(22(27-33-16)17-7-5-4-6-8-17)20-15-34-23(26-20)18-9-11-30(12-10-18)14-19-13-28(2)25(32)29(3)24(19)31/h4-8,13,15,18H,9-12,14H2,1-3H3
InChIKeyVFAJEWZRBISZMK-UHFFFAOYSA-N
XLogP3.55
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione (CID 23857613) is 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione is Cc1onc(-c2ccccc2)c1-c1csc(C2CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)n1.
What is the InChIKey of 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is VFAJEWZRBISZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16-21(22(27-33-16)17-7-5-4-6-8-17)20-15-34-23(26-20)18-9-11-30(12-10-18)14-19-13-28(2)25(32)29(3)24(19)31/h4-8,13,15,18H,9-12,14H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 477.59 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 23857613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).