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

C14H19N3O — CID 57172010

IUPACbutyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene
SMILESCCCC/N=N/CC1=C(c2ccccc2)NOC1
InChIInChI=1S/C14H19N3O/c1-2-3-9-15-16-10-13-11-18-17-14(13)12-7-5-4-6-8-12/h4-8,17H,2-3,9-11H2,1H3/b16-15+
InChIKeyGEXGJSZKPJNAJF-FOCLMDBBSA-N
MW245.33 g/mol
LogP3.18
Rot. Bonds6

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

butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene (PubChem CID 57172010) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene.

Molecular Properties

Compound Namebutyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene
PubChem CID57172010
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Namebutyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene
SMILESCCCC/N=N/CC1=C(c2ccccc2)NOC1
InChIInChI=1S/C14H19N3O/c1-2-3-9-15-16-10-13-11-18-17-14(13)12-7-5-4-6-8-12/h4-8,17H,2-3,9-11H2,1H3/b16-15+
InChIKeyGEXGJSZKPJNAJF-FOCLMDBBSA-N
XLogP3.18
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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CID 18794272
Benzyl(2-methylpropoxy)amine hydrochloride
CID 121552992
Benzenemethanamine, N-(2-propen-1-yloxy)-
CID 10997373
1-phenyl-N-propoxymethanamine
CID 53895948
Ethoxybenzylhydrazine
CID 88330416
3-[(2,2-Difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine
CID 57132572
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91220190
3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole
CID 91587883
3-[4-(azidomethyl)phenyl]-2-ethyl-4-fluoro-5H-1,2-oxazole
CID 129079700
1-phenyl-N-prop-2-enoxyethanamine
CID 10899223
N-[(E)-pent-3-en-2-yl]oxy-1-phenylmethanamine
CID 10976317
N-but-3-en-2-yloxy-1-phenylmethanamine
CID 11062948

Frequently Asked Questions

What is the IUPAC name of butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene?
The IUPAC name of butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene (CID 57172010) is butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene.
What is the SMILES notation for butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene?
The canonical SMILES for butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene is CCCC/N=N/CC1=C(c2ccccc2)NOC1.
What is the InChIKey of butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene?
The InChIKey is GEXGJSZKPJNAJF-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-9-15-16-10-13-11-18-17-14(13)12-7-5-4-6-8-12/h4-8,17H,2-3,9-11H2,1H3/b16-15+.
What are the key properties of butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene?
butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene has a molecular weight of 245.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)methyl]diazene is sourced from PubChem (CID 57172010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).