N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

C19H29N3O — CID 56661714

IUPACN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCc1ccc(-c2nc(CNCCCN(C)C)co2)cc1
InChIInChI=1S/C19H29N3O/c1-4-5-7-16-8-10-17(11-9-16)19-21-18(15-23-19)14-20-12-6-13-22(2)3/h8-11,15,20H,4-7,12-14H2,1-3H3
InChIKeyKKNZORXMFWXBGK-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.73
Rot. Bonds10

About N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 56661714) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID56661714
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCc1ccc(-c2nc(CNCCCN(C)C)co2)cc1
InChIInChI=1S/C19H29N3O/c1-4-5-7-16-8-10-17(11-9-16)19-21-18(15-23-19)14-20-12-6-13-22(2)3/h8-11,15,20H,4-7,12-14H2,1-3H3
InChIKeyKKNZORXMFWXBGK-UHFFFAOYSA-N
XLogP3.73
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
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]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 56661714) is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is CCCCc1ccc(-c2nc(CNCCCN(C)C)co2)cc1.
What is the InChIKey of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KKNZORXMFWXBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-5-7-16-8-10-17(11-9-16)19-21-18(15-23-19)14-20-12-6-13-22(2)3/h8-11,15,20H,4-7,12-14H2,1-3H3.
What are the key properties of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 315.46 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 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]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 56661714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).