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

C16H22N2O2 — CID 171051063

IUPAC1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCCCCOc1ccc(CNCc2coc(C)n2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-4-9-19-16-7-5-14(6-8-16)10-17-11-15-12-20-13(2)18-15/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyPKQAHPKTBRYKOE-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.45
Rot. Bonds8

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

1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine (PubChem CID 171051063) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
PubChem CID171051063
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCCCCOc1ccc(CNCc2coc(C)n2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-4-9-19-16-7-5-14(6-8-16)10-17-11-15-12-20-13(2)18-15/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyPKQAHPKTBRYKOE-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 28670478
N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine
CID 82872963
N-[(4-butoxyphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648036
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
1-(4-butoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61284679
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
N-[(4-pentoxyphenyl)methyl]prop-2-yn-1-amine
CID 29049488
1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962438
N-[(4-butoxyphenyl)methyl]-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine
CID 175680030
N-[(4-butoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 114154712
2-[(4-octoxyphenyl)methylamino]acetaldehyde
CID 170224550

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine (CID 171051063) is 1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine is CCCCOc1ccc(CNCc2coc(C)n2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine?
The InChIKey is PKQAHPKTBRYKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-4-9-19-16-7-5-14(6-8-16)10-17-11-15-12-20-13(2)18-15/h5-8,12,17H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine?
1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine has a molecular weight of 274.36 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 171051063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).