3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate

C16H20N2O3 — CID 138050274

IUPAC3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate
SMILESCC(=O)OCCCc1cccc(NCc2nocc2C)c1
InChIInChI=1S/C16H20N2O3/c1-12-11-21-18-16(12)10-17-15-7-3-5-14(9-15)6-4-8-20-13(2)19/h3,5,7,9,11,17H,4,6,8,10H2,1-2H3
InChIKeyQENPMWKMPCIKGN-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.09
Rot. Bonds7

About 3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate

3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate (PubChem CID 138050274) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate.

Molecular Properties

Compound Name3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate
PubChem CID138050274
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate
SMILESCC(=O)OCCCc1cccc(NCc2nocc2C)c1
InChIInChI=1S/C16H20N2O3/c1-12-11-21-18-16(12)10-17-15-7-3-5-14(9-15)6-4-8-20-13(2)19/h3,5,7,9,11,17H,4,6,8,10H2,1-2H3
InChIKeyQENPMWKMPCIKGN-UHFFFAOYSA-N
XLogP3.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate
CID 75477339
3-[3-(6-oxaspiro[2.5]octan-2-ylmethylamino)phenyl]propyl acetate
CID 146142462
3-[3-[(3-methyl-1,2-oxazol-4-yl)methylamino]phenyl]propanoic acid
CID 122044267
3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate
CID 75524808
3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate
CID 75524807
3-[3-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propanoic acid
CID 122044219
2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate
CID 75450680
ethane;3-[(3-methylphenyl)methylcarbamoyloxy]propyl acetate
CID 142907005
2-[3-(2-bromoethyl)phenyl]ethyl acetate
CID 174492765
3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol
CID 106817071
[3-[(1-tert-butylimidazol-4-yl)methylamino]phenyl]methyl acetate
CID 127255546
1-[3-(2-hydroxyethyl)anilino]propan-2-one
CID 174381535

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate?
The IUPAC name of 3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate (CID 138050274) is 3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate.
What is the SMILES notation for 3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate?
The canonical SMILES for 3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate is CC(=O)OCCCc1cccc(NCc2nocc2C)c1.
What is the InChIKey of 3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate?
The InChIKey is QENPMWKMPCIKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-11-21-18-16(12)10-17-15-7-3-5-14(9-15)6-4-8-20-13(2)19/h3,5,7,9,11,17H,4,6,8,10H2,1-2H3.
What are the key properties of 3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate?
3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate has a molecular weight of 288.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methyl-1,2-oxazol-3-yl)methylamino]phenyl]propyl acetate is sourced from PubChem (CID 138050274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).