3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine

C15H20N2O — CID 93186337

IUPAC3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCCCc1ccc(-c2cnc(CCCN)o2)cc1
InChIInChI=1S/C15H20N2O/c1-2-4-12-6-8-13(9-7-12)14-11-17-15(18-14)5-3-10-16/h6-9,11H,2-5,10,16H2,1H3
InChIKeyZLZLUYSRORLWCQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.19
Rot. Bonds6

About 3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 93186337) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID93186337
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCCCc1ccc(-c2cnc(CCCN)o2)cc1
InChIInChI=1S/C15H20N2O/c1-2-4-12-6-8-13(9-7-12)14-11-17-15(18-14)5-3-10-16/h6-9,11H,2-5,10,16H2,1H3
InChIKeyZLZLUYSRORLWCQ-UHFFFAOYSA-N
XLogP3.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360063
2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 65180183
3-[5-(furan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178542
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 43144322
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042364
3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82818945
3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179148

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 93186337) is 3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine is CCCc1ccc(-c2cnc(CCCN)o2)cc1.
What is the InChIKey of 3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is ZLZLUYSRORLWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-4-12-6-8-13(9-7-12)14-11-17-15(18-14)5-3-10-16/h6-9,11H,2-5,10,16H2,1H3.
What are the key properties of 3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 93186337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).