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

C12H14N2O2 — CID 115084358

IUPAC3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol
SMILESCC(N)Cc1coc(-c2cccc(O)c2)n1
InChIInChI=1S/C12H14N2O2/c1-8(13)5-10-7-16-12(14-10)9-3-2-4-11(15)6-9/h2-4,6-8,15H,5,13H2,1H3
InChIKeyWLMJSLVBNNEHEX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.94
Rot. Bonds3

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

3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol (PubChem CID 115084358) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol
PubChem CID115084358
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol
SMILESCC(N)Cc1coc(-c2cccc(O)c2)n1
InChIInChI=1S/C12H14N2O2/c1-8(13)5-10-7-16-12(14-10)9-3-2-4-11(15)6-9/h2-4,6-8,15H,5,13H2,1H3
InChIKeyWLMJSLVBNNEHEX-UHFFFAOYSA-N
XLogP1.94
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
CID 115084355
1-[2-(furan-2-yl)-1,3-oxazol-4-yl]propan-2-amine
CID 115083602
3-(4-phenyl-1,3-oxazol-2-yl)phenol
CID 115041984
1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084513
1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
CID 119920593
1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115083806
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
CID 115772256
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 115084321
4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
CID 22352547
3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol
CID 96810008
4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole
CID 57434521

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol?
The IUPAC name of 3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol (CID 115084358) is 3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol.
What is the SMILES notation for 3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol?
The canonical SMILES for 3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol is CC(N)Cc1coc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol?
The InChIKey is WLMJSLVBNNEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(13)5-10-7-16-12(14-10)9-3-2-4-11(15)6-9/h2-4,6-8,15H,5,13H2,1H3.
What are the key properties of 3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol?
3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol has a molecular weight of 218.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminopropyl)-1,3-oxazol-2-yl]phenol is sourced from PubChem (CID 115084358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).