3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine

C17H24N2O2 — CID 65185146

IUPAC3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1ncc(-c2cc(C)cc(C)c2)o1
InChIInChI=1S/C17H24N2O2/c1-13-9-14(2)11-15(10-13)16-12-19-17(21-16)5-4-6-18-7-8-20-3/h9-12,18H,4-8H2,1-3H3
InChIKeyIEPGUARYMXSNBL-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.13
Rot. Bonds8

About 3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine

3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine (PubChem CID 65185146) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
PubChem CID65185146
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1ncc(-c2cc(C)cc(C)c2)o1
InChIInChI=1S/C17H24N2O2/c1-13-9-14(2)11-15(10-13)16-12-19-17(21-16)5-4-6-18-7-8-20-3/h9-12,18H,4-8H2,1-3H3
InChIKeyIEPGUARYMXSNBL-UHFFFAOYSA-N
XLogP3.13
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.13
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

3-[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 81475753
3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184796
3-[5-(furan-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184897
3-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 107966754
3-[5-(5-iodothiophen-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 79691218
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184898
3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 66120896
2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107941918
3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184545
N-[[5-(3,5-dibromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 107975815
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182714
N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187510

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine (CID 65185146) is 3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine is COCCNCCCc1ncc(-c2cc(C)cc(C)c2)o1.
What is the InChIKey of 3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is IEPGUARYMXSNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-9-14(2)11-15(10-13)16-12-19-17(21-16)5-4-6-18-7-8-20-3/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine?
3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 65185146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).