N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C15H14N4O3 — CID 122263466

IUPACN-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(CNC(=O)Cn2c(=O)oc3ccccc32)ncn1
InChIInChI=1S/C15H14N4O3/c1-10-6-11(18-9-17-10)7-16-14(20)8-19-12-4-2-3-5-13(12)22-15(19)21/h2-6,9H,7-8H2,1H3,(H,16,20)
InChIKeyOZLWKHKEHLIHFN-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.01
Rot. Bonds4

About N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 122263466) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID122263466
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(CNC(=O)Cn2c(=O)oc3ccccc32)ncn1
InChIInChI=1S/C15H14N4O3/c1-10-6-11(18-9-17-10)7-16-14(20)8-19-12-4-2-3-5-13(12)22-15(19)21/h2-6,9H,7-8H2,1H3,(H,16,20)
InChIKeyOZLWKHKEHLIHFN-UHFFFAOYSA-N
XLogP1.01
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122352825
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131945994
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 71901762
N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide
CID 134039189
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131915312
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 122263466) is N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1cc(CNC(=O)Cn2c(=O)oc3ccccc32)ncn1.
What is the InChIKey of N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is OZLWKHKEHLIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10-6-11(18-9-17-10)7-16-14(20)8-19-12-4-2-3-5-13(12)22-15(19)21/h2-6,9H,7-8H2,1H3,(H,16,20).
What are the key properties of N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 298.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 122263466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).