N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

C14H17ClN2O2 — CID 106864643

IUPACN-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncoc1-c1ccc(C)cc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-10-3-4-11(12(15)7-10)14-13(17-9-19-14)8-16-5-6-18-2/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyAIAWXSUODITFDH-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.04
Rot. Bonds6

About N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 106864643) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID106864643
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC NameN-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncoc1-c1ccc(C)cc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-10-3-4-11(12(15)7-10)14-13(17-9-19-14)8-16-5-6-18-2/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyAIAWXSUODITFDH-UHFFFAOYSA-N
XLogP3.04
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79145692
N-[[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81262930
N-[[5-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376386
2-methoxy-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145029
N-[[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81308351
N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 80642183
N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145623
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148458
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79144750
N-[[5-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148265
2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81139424
1-[5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 79139851

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (CID 106864643) is N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1ncoc1-c1ccc(C)cc1Cl.
What is the InChIKey of N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is AIAWXSUODITFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10-3-4-11(12(15)7-10)14-13(17-9-19-14)8-16-5-6-18-2/h3-4,7,9,16H,5-6,8H2,1-2H3.
What are the key properties of N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 280.76 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106864643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).