4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol

C12H16N2O2 — CID 136982327

IUPAC4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol
SMILESNCCCC1COC(c2ccc(O)cc2)=N1
InChIInChI=1S/C12H16N2O2/c13-7-1-2-10-8-16-12(14-10)9-3-5-11(15)6-4-9/h3-6,10,15H,1-2,7-8,13H2
InChIKeyCYAAZIUAZLBEEC-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.28
Rot. Bonds4

About 4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol

4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol (PubChem CID 136982327) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol
PubChem CID136982327
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol
SMILESNCCCC1COC(c2ccc(O)cc2)=N1
InChIInChI=1S/C12H16N2O2/c13-7-1-2-10-8-16-12(14-10)9-3-5-11(15)6-4-9/h3-6,10,15H,1-2,7-8,13H2
InChIKeyCYAAZIUAZLBEEC-UHFFFAOYSA-N
XLogP1.28
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol?
The IUPAC name of 4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol (CID 136982327) is 4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol?
The canonical SMILES for 4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol is NCCCC1COC(c2ccc(O)cc2)=N1.
What is the InChIKey of 4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol?
The InChIKey is CYAAZIUAZLBEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-7-1-2-10-8-16-12(14-10)9-3-5-11(15)6-4-9/h3-6,10,15H,1-2,7-8,13H2.
What are the key properties of 4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol?
4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol has a molecular weight of 220.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol is sourced from PubChem (CID 136982327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).