1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone

C15H14N4O3 — CID 137343394

IUPAC1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCc2cc(-c3ccco3)on2)nc1C
InChIInChI=1S/C15H14N4O3/c1-9-12(10(2)20)8-17-15(18-9)16-7-11-6-14(22-19-11)13-4-3-5-21-13/h3-6,8H,7H2,1-2H3,(H,16,17,18)
InChIKeyUNPIIZRHFTVFBP-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.85
Rot. Bonds5

About 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone

1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 137343394) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone
PubChem CID137343394
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCc2cc(-c3ccco3)on2)nc1C
InChIInChI=1S/C15H14N4O3/c1-9-12(10(2)20)8-17-15(18-9)16-7-11-6-14(22-19-11)13-4-3-5-21-13/h3-6,8H,7H2,1-2H3,(H,16,17,18)
InChIKeyUNPIIZRHFTVFBP-UHFFFAOYSA-N
XLogP2.85
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone with MolForge

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Related Compounds

1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone
CID 137335001
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208
1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one
CID 68721708
5-ethyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 74235471
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid
CID 81230209
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
CID 43241616
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide
CID 30607978
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608053
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide
CID 45496871
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70753289

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone (CID 137343394) is 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(NCc2cc(-c3ccco3)on2)nc1C.
What is the InChIKey of 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is UNPIIZRHFTVFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-12(10(2)20)8-17-15(18-9)16-7-11-6-14(22-19-11)13-4-3-5-21-13/h3-6,8H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 298.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 137343394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).