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

C15H20N2O — CID 163923919

IUPAC3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine
SMILESCCCc1cc(CCCN)cc(-c2cnco2)c1
InChIInChI=1S/C15H20N2O/c1-2-4-12-7-13(5-3-6-16)9-14(8-12)15-10-17-11-18-15/h7-11H,2-6,16H2,1H3
InChIKeyRCUYBGXUMMQPRB-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.19
Rot. Bonds6

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

3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine (PubChem CID 163923919) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine
PubChem CID163923919
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine
SMILESCCCc1cc(CCCN)cc(-c2cnco2)c1
InChIInChI=1S/C15H20N2O/c1-2-4-12-7-13(5-3-6-16)9-14(8-12)15-10-17-11-18-15/h7-11H,2-6,16H2,1H3
InChIKeyRCUYBGXUMMQPRB-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

2,6-dimethyl-4-(1,3-oxazol-5-yl)aniline
CID 134480266
N-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]propan-1-amine
CID 115029708
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
5-butyl-1,3-oxazole
CID 18000835
5-(3,5-difluorophenyl)-1,3-oxazole
CID 67531476
5-[3-(bromomethyl)phenyl]-1,3-oxazole
CID 68549202
[3-(1,3-oxazol-5-yl)phenyl]methanol
CID 54312387
6-(4-propylphenyl)hexan-1-amine
CID 65300510
2-[4-(1,3-oxazol-5-yl)phenyl]ethanol
CID 55266243
3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine
CID 105422700
N-hexyl-3-(1,3-oxazol-5-yl)aniline
CID 54865068
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine?
The IUPAC name of 3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine (CID 163923919) is 3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine?
The canonical SMILES for 3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine is CCCc1cc(CCCN)cc(-c2cnco2)c1.
What is the InChIKey of 3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine?
The InChIKey is RCUYBGXUMMQPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-4-12-7-13(5-3-6-16)9-14(8-12)15-10-17-11-18-15/h7-11H,2-6,16H2,1H3.
What are the key properties of 3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine?
3-[3-(1,3-oxazol-5-yl)-5-propylphenyl]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-[3-(1,3-oxazol-5-yl)-5-propylphenyl]propan-1-amine is sourced from PubChem (CID 163923919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).