[5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine

C14H18N2O2 — CID 79139143

IUPAC[5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCCCCOc1ccc(-c2ocnc2CN)cc1
InChIInChI=1S/C14H18N2O2/c1-2-3-8-17-12-6-4-11(5-7-12)14-13(9-15)16-10-18-14/h4-7,10H,2-3,8-9,15H2,1H3
InChIKeyQAMXKXIYSLQEFD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds6

About [5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine

[5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139143) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139143
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCCCCOc1ccc(-c2ocnc2CN)cc1
InChIInChI=1S/C14H18N2O2/c1-2-3-8-17-12-6-4-11(5-7-12)14-13(9-15)16-10-18-14/h4-7,10H,2-3,8-9,15H2,1H3
InChIKeyQAMXKXIYSLQEFD-UHFFFAOYSA-N
XLogP2.98
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
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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Related Compounds

5-(4-butoxyphenyl)-4-(chloromethyl)-1,3-oxazole
CID 79153679
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
4-butyl-5-phenyl-1,3-oxazole
CID 119082964
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139040
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
4-(4-butoxyphenyl)-1,3-oxazol-2-amine
CID 95448867
1,4-dipentoxybenzene
CID 18314717
[4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol
CID 54846736
(4-decoxyphenyl)methanamine
CID 55187501
(5-butoxy-2-pyridinyl)methanamine
CID 79787452

Frequently Asked Questions

What is the IUPAC name of [5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine (CID 79139143) is [5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine is CCCCOc1ccc(-c2ocnc2CN)cc1.
What is the InChIKey of [5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is QAMXKXIYSLQEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-3-8-17-12-6-4-11(5-7-12)14-13(9-15)16-10-18-14/h4-7,10H,2-3,8-9,15H2,1H3.
What are the key properties of [5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine?
[5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).