N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline

C15H20N2O3 — CID 60934662

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCc2c(C)noc2C)c1
InChIInChI=1S/C15H20N2O3/c1-11-15(12(2)20-17-11)10-16-13-5-4-6-14(9-13)19-8-7-18-3/h4-6,9,16H,7-8,10H2,1-3H3
InChIKeyXSRIUWQWKQKKKM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.93
Rot. Bonds7

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline (PubChem CID 60934662) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline
PubChem CID60934662
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCc2c(C)noc2C)c1
InChIInChI=1S/C15H20N2O3/c1-11-15(12(2)20-17-11)10-16-13-5-4-6-14(9-13)19-8-7-18-3/h4-6,9,16H,7-8,10H2,1-3H3
InChIKeyXSRIUWQWKQKKKM-UHFFFAOYSA-N
XLogP2.93
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodoaniline
CID 28879203
3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54803133
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60944121
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyaniline
CID 63997036
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 54864777
N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 63646703
3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473686

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline (CID 60934662) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline is COCCOc1cccc(NCc2c(C)noc2C)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline?
The InChIKey is XSRIUWQWKQKKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-15(12(2)20-17-11)10-16-13-5-4-6-14(9-13)19-8-7-18-3/h4-6,9,16H,7-8,10H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline has a molecular weight of 276.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 60934662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).