N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide

C25H25N5O4 — CID 42248202

IUPACN-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2nc(-c3cccc(NC(=O)c4cc(C)oc4C)c3)oc2C)nc(C)n1
InChIInChI=1S/C25H25N5O4/c1-13-9-21(28-17(5)27-13)24(32)26-12-22-16(4)34-25(30-22)18-7-6-8-19(11-18)29-23(31)20-10-14(2)33-15(20)3/h6-11H,12H2,1-5H3,(H,26,32)(H,29,31)
InChIKeyYHAWRMFRUSGJEC-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.45
Rot. Bonds6

About N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide

N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 42248202) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID42248202
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC NameN-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2nc(-c3cccc(NC(=O)c4cc(C)oc4C)c3)oc2C)nc(C)n1
InChIInChI=1S/C25H25N5O4/c1-13-9-21(28-17(5)27-13)24(32)26-12-22-16(4)34-25(30-22)18-7-6-8-19(11-18)29-23(31)20-10-14(2)33-15(20)3/h6-11H,12H2,1-5H3,(H,26,32)(H,29,31)
InChIKeyYHAWRMFRUSGJEC-UHFFFAOYSA-N
XLogP4.45
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide (CID 42248202) is N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2nc(-c3cccc(NC(=O)c4cc(C)oc4C)c3)oc2C)nc(C)n1.
What is the InChIKey of N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is YHAWRMFRUSGJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-13-9-21(28-17(5)27-13)24(32)26-12-22-16(4)34-25(30-22)18-7-6-8-19(11-18)29-23(31)20-10-14(2)33-15(20)3/h6-11H,12H2,1-5H3,(H,26,32)(H,29,31).
What are the key properties of N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 42248202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).