1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine

C16H19N3O3 — CID 59967596

IUPAC1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine
SMILESCCc1nocc1-c1ccc(C(=N\OC)/C(C)=N/OC)cc1
InChIInChI=1S/C16H19N3O3/c1-5-15-14(10-22-18-15)12-6-8-13(9-7-12)16(19-21-4)11(2)17-20-3/h6-10H,5H2,1-4H3/b17-11+,19-16-
InChIKeyJJTCSBZTHSUITG-IIIOKWFNSA-N
MW301.35 g/mol
LogP3.28
Rot. Bonds6

About 1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine

1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine (PubChem CID 59967596) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine.

Molecular Properties

Compound Name1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine
PubChem CID59967596
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine
SMILESCCc1nocc1-c1ccc(C(=N\OC)/C(C)=N/OC)cc1
InChIInChI=1S/C16H19N3O3/c1-5-15-14(10-22-18-15)12-6-8-13(9-7-12)16(19-21-4)11(2)17-20-3/h6-10H,5H2,1-4H3/b17-11+,19-16-
InChIKeyJJTCSBZTHSUITG-IIIOKWFNSA-N
XLogP3.28
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967575
1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine
CID 72609352
1-(4-bromophenyl)-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684356
2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid
CID 105423505
1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684350
(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135597868
1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine
CID 86757955
(E,2E)-2-hydrazinylidene-N-methoxy-1-phenylpropan-1-imine
CID 59897267
4-(4-ethylphenyl)-3-methyl-1,2-oxazole
CID 89297877
1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967580
2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
CID 105423396
(Z)-N-methoxy-1-(4-propylphenyl)ethanimine
CID 90777265

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine?
The IUPAC name of 1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine (CID 59967596) is 1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine.
What is the SMILES notation for 1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine?
The canonical SMILES for 1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine is CCc1nocc1-c1ccc(C(=N\OC)/C(C)=N/OC)cc1.
What is the InChIKey of 1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine?
The InChIKey is JJTCSBZTHSUITG-IIIOKWFNSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-5-15-14(10-22-18-15)12-6-8-13(9-7-12)16(19-21-4)11(2)17-20-3/h6-10H,5H2,1-4H3/b17-11+,19-16-.
What are the key properties of 1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine?
1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine has a molecular weight of 301.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine is sourced from PubChem (CID 59967596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).