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

C16H22N2O2 — CID 54847006

IUPACN-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine
SMILESCCCCCOc1ccccc1-c1cc(CNC)no1
InChIInChI=1S/C16H22N2O2/c1-3-4-7-10-19-15-9-6-5-8-14(15)16-11-13(12-17-2)18-20-16/h5-6,8-9,11,17H,3-4,7,10,12H2,1-2H3
InChIKeyXGECNKJRZFXIND-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.63
Rot. Bonds8

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

N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 54847006) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine
PubChem CID54847006
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine
SMILESCCCCCOc1ccccc1-c1cc(CNC)no1
InChIInChI=1S/C16H22N2O2/c1-3-4-7-10-19-15-9-6-5-8-14(15)16-11-13(12-17-2)18-20-16/h5-6,8-9,11,17H,3-4,7,10,12H2,1-2H3
InChIKeyXGECNKJRZFXIND-UHFFFAOYSA-N
XLogP3.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.63
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-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 54846542
N-methyl-1-[3-(2-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847408
[5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine
CID 54846749
N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 79020183
N-(1-adamantyl)-5-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide
CID 71769178
1-octadecoxy-2-phenylbenzene
CID 70983974
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
4-(2-butoxyphenyl)pyridazine
CID 173145819
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
4-methyl-2-(2-octoxyphenyl)pyridine
CID 158540184

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine (CID 54847006) is N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine is CCCCCOc1ccccc1-c1cc(CNC)no1.
What is the InChIKey of N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is XGECNKJRZFXIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-4-7-10-19-15-9-6-5-8-14(15)16-11-13(12-17-2)18-20-16/h5-6,8-9,11,17H,3-4,7,10,12H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 274.36 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 54847006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).