1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one

C18H18N2O3 — CID 68721708

IUPAC1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(NCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C18H18N2O3/c1-2-4-16(21)13-6-8-14(9-7-13)19-12-15-11-18(23-20-15)17-5-3-10-22-17/h3,5-11,19H,2,4,12H2,1H3
InChIKeyWQIWIVHKEIYKMY-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.53
Rot. Bonds7

About 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one

1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one (PubChem CID 68721708) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one
PubChem CID68721708
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(NCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C18H18N2O3/c1-2-4-16(21)13-6-8-14(9-7-13)19-12-15-11-18(23-20-15)17-5-3-10-22-17/h3,5-11,19H,2,4,12H2,1H3
InChIKeyWQIWIVHKEIYKMY-UHFFFAOYSA-N
XLogP4.53
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-4-propan-2-yloxybenzamide
CID 30607978
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
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]-2,3-dimethylbutanamide
CID 118334208
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 50971172
1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone
CID 137343394
4-butyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]cyclohexane-1-carboxamide
CID 30607957
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608053
5-ethyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 74235471
6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylhexanoic acid
CID 65287211
1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one
CID 68723925

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one?
The IUPAC name of 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one (CID 68721708) is 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one.
What is the SMILES notation for 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one?
The canonical SMILES for 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one is CCCC(=O)c1ccc(NCc2cc(-c3ccco3)on2)cc1.
What is the InChIKey of 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one?
The InChIKey is WQIWIVHKEIYKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-4-16(21)13-6-8-14(9-7-13)19-12-15-11-18(23-20-15)17-5-3-10-22-17/h3,5-11,19H,2,4,12H2,1H3.
What are the key properties of 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one?
1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one has a molecular weight of 310.35 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one is sourced from PubChem (CID 68721708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).