N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide

C19H21N5O3 — CID 16682118

IUPACN-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCOCCNc1nc(C)cc(-c2cc(C(=O)NCc3ccccc3)on2)n1
InChIInChI=1S/C19H21N5O3/c1-13-10-15(23-19(22-13)20-8-9-26-2)16-11-17(27-24-16)18(25)21-12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyUUVLLYFMNIMRSH-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.43
Rot. Bonds8

About N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide

N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 16682118) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID16682118
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCOCCNc1nc(C)cc(-c2cc(C(=O)NCc3ccccc3)on2)n1
InChIInChI=1S/C19H21N5O3/c1-13-10-15(23-19(22-13)20-8-9-26-2)16-11-17(27-24-16)18(25)21-12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyUUVLLYFMNIMRSH-UHFFFAOYSA-N
XLogP2.43
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide (CID 16682118) is N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide is COCCNc1nc(C)cc(-c2cc(C(=O)NCc3ccccc3)on2)n1.
What is the InChIKey of N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is UUVLLYFMNIMRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-10-15(23-19(22-13)20-8-9-26-2)16-11-17(27-24-16)18(25)21-12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide?
N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16682118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).