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

C13H16N2O2 — CID 65179138

IUPAC3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOc1cccc(-c2cnc(CCCN)o2)c1
InChIInChI=1S/C13H16N2O2/c1-16-11-5-2-4-10(8-11)12-9-15-13(17-12)6-3-7-14/h2,4-5,8-9H,3,6-7,14H2,1H3
InChIKeySESDNHWMLHNHAM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.24
Rot. Bonds5

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

3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65179138) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65179138
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOc1cccc(-c2cnc(CCCN)o2)c1
InChIInChI=1S/C13H16N2O2/c1-16-11-5-2-4-10(8-11)12-9-15-13(17-12)6-3-7-14/h2,4-5,8-9H,3,6-7,14H2,1H3
InChIKeySESDNHWMLHNHAM-UHFFFAOYSA-N
XLogP2.24
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179148
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
3-[5-(3-nitrophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178544
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184141
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole
CID 65179365
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)propanamide
CID 133245082
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65179138) is 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is COc1cccc(-c2cnc(CCCN)o2)c1.
What is the InChIKey of 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is SESDNHWMLHNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-11-5-2-4-10(8-11)12-9-15-13(17-12)6-3-7-14/h2,4-5,8-9H,3,6-7,14H2,1H3.
What are the key properties of 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 232.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65179138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).