N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine

C19H28N2O2 — CID 54846542

IUPACN-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine
SMILESCCCCCCCCOc1ccc(-c2cc(CNC)no2)cc1
InChIInChI=1S/C19H28N2O2/c1-3-4-5-6-7-8-13-22-18-11-9-16(10-12-18)19-14-17(15-20-2)21-23-19/h9-12,14,20H,3-8,13,15H2,1-2H3
InChIKeyCKKKOQADGURROL-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.80
Rot. Bonds11

About N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine

N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 54846542) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine
PubChem CID54846542
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine
SMILESCCCCCCCCOc1ccc(-c2cc(CNC)no2)cc1
InChIInChI=1S/C19H28N2O2/c1-3-4-5-6-7-8-13-22-18-11-9-16(10-12-18)19-14-17(15-20-2)21-23-19/h9-12,14,20H,3-8,13,15H2,1-2H3
InChIKeyCKKKOQADGURROL-UHFFFAOYSA-N
XLogP4.80
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.80
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

N-[[5-(4-butoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 54846827
N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 54847006
3-(4-bromophenyl)-5-(4-decoxyphenyl)-1,2-oxazole
CID 25227832
3-(4-methylphenyl)-5-(4-pentoxyphenyl)-1,2-oxazole
CID 122432767
2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
CID 95732607
5-(4-hexoxyphenyl)-1,2-oxazole
CID 166514076
4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine
CID 122376206
4-[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]benzonitrile
CID 71367381
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
N-methyl-1-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847474
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine (CID 54846542) is N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine is CCCCCCCCOc1ccc(-c2cc(CNC)no2)cc1.
What is the InChIKey of N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is CKKKOQADGURROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-4-5-6-7-8-13-22-18-11-9-16(10-12-18)19-14-17(15-20-2)21-23-19/h9-12,14,20H,3-8,13,15H2,1-2H3.
What are the key properties of N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 316.45 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 54846542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).