2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H19N5O2 — CID 133442254

IUPAC2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)c2ccnc(Cc3ccccc3)n2)no1
InChIInChI=1S/C18H19N5O2/c1-13-10-16(22-25-13)21-18(24)12-23(2)17-8-9-19-15(20-17)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22,24)
InChIKeyHKVLULAESQVWGK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.44
Rot. Bonds6

About 2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 133442254) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID133442254
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)c2ccnc(Cc3ccccc3)n2)no1
InChIInChI=1S/C18H19N5O2/c1-13-10-16(22-25-13)21-18(24)12-23(2)17-8-9-19-15(20-17)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22,24)
InChIKeyHKVLULAESQVWGK-UHFFFAOYSA-N
XLogP2.44
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(naphthalen-1-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60570476
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-(2-phenylquinazolin-4-yl)amino]acetamide
CID 134032191
2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 133368007
2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 814043
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109256874
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
4-[benzyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109212665

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 133442254) is 2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)c2ccnc(Cc3ccccc3)n2)no1.
What is the InChIKey of 2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HKVLULAESQVWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-10-16(22-25-13)21-18(24)12-23(2)17-8-9-19-15(20-17)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 133442254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).