3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine

C14H17ClN2O2 — CID 65187006

IUPAC3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccc(Cl)cc2OC)o1
InChIInChI=1S/C14H17ClN2O2/c1-16-7-3-4-14-17-9-13(19-14)11-6-5-10(15)8-12(11)18-2/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyUHIYLHRKPQTBCV-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.16
Rot. Bonds6

About 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine

3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (PubChem CID 65187006) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
PubChem CID65187006
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccc(Cl)cc2OC)o1
InChIInChI=1S/C14H17ClN2O2/c1-16-7-3-4-14-17-9-13(19-14)11-6-5-10(15)8-12(11)18-2/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyUHIYLHRKPQTBCV-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187028
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 82891205
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187402
3-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 115370266
N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65182657
3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 107941921
2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 65180005
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430
3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186809
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 102885582
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690347

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (CID 65187006) is 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(-c2ccc(Cl)cc2OC)o1.
What is the InChIKey of 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is UHIYLHRKPQTBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-16-7-3-4-14-17-9-13(19-14)11-6-5-10(15)8-12(11)18-2/h5-6,8-9,16H,3-4,7H2,1-2H3.
What are the key properties of 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 280.76 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 65187006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).