N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine

C19H24N4O — CID 56665909

IUPACN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCCCc1ccc(-c2nc(CNCCc3cnc[nH]3)co2)cc1
InChIInChI=1S/C19H24N4O/c1-2-3-4-15-5-7-16(8-6-15)19-23-18(13-24-19)12-20-10-9-17-11-21-14-22-17/h5-8,11,13-14,20H,2-4,9-10,12H2,1H3,(H,21,22)
InChIKeyUIHWDNFPJWFOMO-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.74
Rot. Bonds9

About N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine

N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 56665909) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID56665909
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCCCc1ccc(-c2nc(CNCCc3cnc[nH]3)co2)cc1
InChIInChI=1S/C19H24N4O/c1-2-3-4-15-5-7-16(8-6-15)19-23-18(13-24-19)12-20-10-9-17-11-21-14-22-17/h5-8,11,13-14,20H,2-4,9-10,12H2,1H3,(H,21,22)
InChIKeyUIHWDNFPJWFOMO-UHFFFAOYSA-N
XLogP3.74
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine (CID 56665909) is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine is CCCCc1ccc(-c2nc(CNCCc3cnc[nH]3)co2)cc1.
What is the InChIKey of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is UIHWDNFPJWFOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-3-4-15-5-7-16(8-6-15)19-23-18(13-24-19)12-20-10-9-17-11-21-14-22-17/h5-8,11,13-14,20H,2-4,9-10,12H2,1H3,(H,21,22).
What are the key properties of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine?
N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 324.43 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 56665909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).