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

C15H20N2O2 — CID 65179148

IUPAC3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCC(C)Oc1cccc(-c2cnc(CCCN)o2)c1
InChIInChI=1S/C15H20N2O2/c1-11(2)18-13-6-3-5-12(9-13)14-10-17-15(19-14)7-4-8-16/h3,5-6,9-11H,4,7-8,16H2,1-2H3
InChIKeyHMKWTJTUZFUZRJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.02
Rot. Bonds6

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

3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65179148) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65179148
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCC(C)Oc1cccc(-c2cnc(CCCN)o2)c1
InChIInChI=1S/C15H20N2O2/c1-11(2)18-13-6-3-5-12(9-13)14-10-17-15(19-14)7-4-8-16/h3,5-6,9-11H,4,7-8,16H2,1-2H3
InChIKeyHMKWTJTUZFUZRJ-UHFFFAOYSA-N
XLogP3.02
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole
CID 65179365
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
N-methyl-2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182987
N-[2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183365
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183599
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
3-[5-(3-nitrophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178544
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310
5-[3-[(2S)-butan-2-yl]oxyphenyl]-2-(chloromethyl)-1,3-oxazole
CID 124500413
N-ethyl-1-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181800
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole
CID 62919288

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65179148) is 3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is CC(C)Oc1cccc(-c2cnc(CCCN)o2)c1.
What is the InChIKey of 3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is HMKWTJTUZFUZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)18-13-6-3-5-12(9-13)14-10-17-15(19-14)7-4-8-16/h3,5-6,9-11H,4,7-8,16H2,1-2H3.
What are the key properties of 3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65179148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).