[(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene

C19H21N3O4 — CID 90862871

IUPAC[(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene
SMILES[H]/N=N/C(c1cc(OC)c(OC)c(OC)c1)C1COC(c2ccccc2)=N1
InChIInChI=1S/C19H21N3O4/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(22-20)14-11-26-19(21-14)12-7-5-4-6-8-12/h4-10,14,17,20H,11H2,1-3H3/b22-20+
InChIKeyVTWYOKWRYOCNQH-LSDHQDQOSA-N
MW355.39 g/mol
LogP3.63
Rot. Bonds7

About [(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene

[(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene (PubChem CID 90862871) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene.

Molecular Properties

Compound Name[(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene
PubChem CID90862871
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene
SMILES[H]/N=N/C(c1cc(OC)c(OC)c(OC)c1)C1COC(c2ccccc2)=N1
InChIInChI=1S/C19H21N3O4/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(22-20)14-11-26-19(21-14)12-7-5-4-6-8-12/h4-10,14,17,20H,11H2,1-3H3/b22-20+
InChIKeyVTWYOKWRYOCNQH-LSDHQDQOSA-N
XLogP3.63
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,3S)-2,3-dihydroxy-3-[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propanoate
CID 10706789
[2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69034335
[(1S,2R)-1-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]butan-2-yl] methanesulfonate
CID 152893134
(1S,2S)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecane-1,2-diol
CID 59097365
N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
CID 122664731
5-[bromo(phenyl)methyl]-1,2,3-trimethoxybenzene
CID 61083701
(4S)-2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102170775
[[(3S,4S)-4-[methoxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]-phenylmethyl] nitrate
CID 11407849
2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 155898661
[2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69036199
3,5-dichloro-N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenesulfonamide
CID 122664776
bis(2-methoxyphenyl)methyldiazene
CID 90869591

Frequently Asked Questions

What is the IUPAC name of [(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene?
The IUPAC name of [(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene (CID 90862871) is [(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene.
What is the SMILES notation for [(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene?
The canonical SMILES for [(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene is [H]/N=N/C(c1cc(OC)c(OC)c(OC)c1)C1COC(c2ccccc2)=N1.
What is the InChIKey of [(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene?
The InChIKey is VTWYOKWRYOCNQH-LSDHQDQOSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(22-20)14-11-26-19(21-14)12-7-5-4-6-8-12/h4-10,14,17,20H,11H2,1-3H3/b22-20+.
What are the key properties of [(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene?
[(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene has a molecular weight of 355.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]diazene is sourced from PubChem (CID 90862871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).