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

C16H21ClN2O2 — CID 65187028

IUPAC3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(-c2ccc(Cl)cc2OC)o1
InChIInChI=1S/C16H21ClN2O2/c1-3-8-18-9-4-5-16-19-11-15(21-16)13-7-6-12(17)10-14(13)20-2/h6-7,10-11,18H,3-5,8-9H2,1-2H3
InChIKeyVQKZLZLASPNFBT-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.94
Rot. Bonds8

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

3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (PubChem CID 65187028) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
PubChem CID65187028
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(-c2ccc(Cl)cc2OC)o1
InChIInChI=1S/C16H21ClN2O2/c1-3-8-18-9-4-5-16-19-11-15(21-16)13-7-6-12(17)10-14(13)20-2/h6-7,10-11,18H,3-5,8-9H2,1-2H3
InChIKeyVQKZLZLASPNFBT-UHFFFAOYSA-N
XLogP3.94
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.94
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-methylpropan-1-amine
CID 65187006
N-[2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107994742
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187402
3-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 81461014
3-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186973
3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 107100477
N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65182657
N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183109
3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186776
3-[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 79083793
3-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 115370266
N-[2-[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182962

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (CID 65187028) is 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1ncc(-c2ccc(Cl)cc2OC)o1.
What is the InChIKey of 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is VQKZLZLASPNFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-3-8-18-9-4-5-16-19-11-15(21-16)13-7-6-12(17)10-14(13)20-2/h6-7,10-11,18H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 308.81 g/mol, XLogP of 3.94, 8 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-propylpropan-1-amine is sourced from PubChem (CID 65187028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).