1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone

C14H17N3O2 — CID 104612411

IUPAC1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1cc(N(C)Cc2cc(C)on2)ccc1N
InChIInChI=1S/C14H17N3O2/c1-9-6-11(16-19-9)8-17(3)12-4-5-14(15)13(7-12)10(2)18/h4-7H,8,15H2,1-3H3
InChIKeyYAWVBHDTJQIMQM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.40
Rot. Bonds4

About 1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone

1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone (PubChem CID 104612411) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone
PubChem CID104612411
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1cc(N(C)Cc2cc(C)on2)ccc1N
InChIInChI=1S/C14H17N3O2/c1-9-6-11(16-19-9)8-17(3)12-4-5-14(15)13(7-12)10(2)18/h4-7H,8,15H2,1-3H3
InChIKeyYAWVBHDTJQIMQM-UHFFFAOYSA-N
XLogP2.40
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine
CID 62911287
2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine
CID 63670329
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
CID 104612404
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
CID 113433012
4-chloro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
CID 113315624
1-[2-amino-5-[methyl-[3-(methylamino)propyl]amino]phenyl]ethanone
CID 104613009
1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 104528407
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
1-N-methyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 43588143
2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 55137012
2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43588188

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone (CID 104612411) is 1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone is CC(=O)c1cc(N(C)Cc2cc(C)on2)ccc1N.
What is the InChIKey of 1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone?
The InChIKey is YAWVBHDTJQIMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-6-11(16-19-9)8-17(3)12-4-5-14(15)13(7-12)10(2)18/h4-7H,8,15H2,1-3H3.
What are the key properties of 1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone?
1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone has a molecular weight of 259.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone is sourced from PubChem (CID 104612411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).