N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide

C26H33N5O6 — CID 123782272

About N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide

N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide (PubChem CID 123782272) has the molecular formula C26H33N5O6 and a molecular weight of 511.58 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
• PubChem CID: 123782272
• Molecular Formula: C26H33N5O6
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.24
• IUPAC Name: N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
• SMILES: Cc1nc(C(=O)NCc2ccc(C)c(C)c2)cc(C2=NOC(C3COC(CNC(=O)C(C)O)CO3)C2)n1
• InChI: InChI=1S/C26H33N5O6/c1-14-5-6-18(7-15(14)2)10-27-26(34)22-8-20(29-17(4)30-22)21-9-23(37-31-21)24-13-35-19(12-36-24)11-28-25(33)16(3)32/h5-8,16,19,23-24,32H,9-13H2,1-4H3,(H,27,34)(H,28,33)
• InChIKey: UPSWHTSEBWYIJS-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 144.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide?

The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide (CID 123782272) is N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide.

What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide?

The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc(C)c(C)c2)cc(C2=NOC(C3COC(CNC(=O)C(C)O)CO3)C2)n1.

What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide?

The InChIKey is UPSWHTSEBWYIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O6/c1-14-5-6-18(7-15(14)2)10-27-26(34)22-8-20(29-17(4)30-22)21-9-23(37-31-21)24-13-35-19(12-36-24)11-28-25(33)16(3)32/h5-8,16,19,23-24,32H,9-13H2,1-4H3,(H,27,34)(H,28,33).

What are the key properties of N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide?

N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 123782272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).