4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one

C13H15N3O4 — CID 170913537

IUPAC4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one
SMILESCOCCOc1ccc(/N=N/c2c(C)[nH]oc2=O)cc1
InChIInChI=1S/C13H15N3O4/c1-9-12(13(17)20-16-9)15-14-10-3-5-11(6-4-10)19-8-7-18-2/h3-6,16H,7-8H2,1-2H3/b15-14+
InChIKeyKUNZQRATACNHMS-CCEZHUSRSA-N
MW277.28 g/mol
LogP2.72
Rot. Bonds6

About 4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one

4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one (PubChem CID 170913537) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one
PubChem CID170913537
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one
SMILESCOCCOc1ccc(/N=N/c2c(C)[nH]oc2=O)cc1
InChIInChI=1S/C13H15N3O4/c1-9-12(13(17)20-16-9)15-14-10-3-5-11(6-4-10)19-8-7-18-2/h3-6,16H,7-8H2,1-2H3/b15-14+
InChIKeyKUNZQRATACNHMS-CCEZHUSRSA-N
XLogP2.72
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one
CID 136714632
2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide
CID 674777
10-[4-[[4-[2-[4-(2-methoxyethoxy)phenyl]ethynyl]phenyl]diazenyl]phenoxy]decan-1-ol
CID 102104313
ethyl 2-[[4-(2-methoxyethoxy)phenyl]diazenyl]-2-methyl-3-oxobutanoate
CID 88734328
2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol
CID 21022593
4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide
CID 59642161
bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate
CID 163745695
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
[4-(2-methoxyethoxy)phenyl]-methylidyneazanium
CID 177451533
[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazenyl]phenyl] 4-heptoxybenzoate
CID 100997085
(4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene
CID 134880151
4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide
CID 137270173

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one (CID 170913537) is 4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one is COCCOc1ccc(/N=N/c2c(C)[nH]oc2=O)cc1.
What is the InChIKey of 4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The InChIKey is KUNZQRATACNHMS-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-9-12(13(17)20-16-9)15-14-10-3-5-11(6-4-10)19-8-7-18-2/h3-6,16H,7-8H2,1-2H3/b15-14+.
What are the key properties of 4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one has a molecular weight of 277.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyethoxy)phenyl]diazenyl]-3-methyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 170913537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).