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

C13H16N2O2 — CID 115006523

IUPAC3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol
SMILESNCCCc1cnc(Cc2cccc(O)c2)o1
InChIInChI=1S/C13H16N2O2/c14-6-2-5-12-9-15-13(17-12)8-10-3-1-4-11(16)7-10/h1,3-4,7,9,16H,2,5-6,8,14H2
InChIKeyFOPACJBVXFIPIR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.86
Rot. Bonds5

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

3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol (PubChem CID 115006523) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol
PubChem CID115006523
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol
SMILESNCCCc1cnc(Cc2cccc(O)c2)o1
InChIInChI=1S/C13H16N2O2/c14-6-2-5-12-9-15-13(17-12)8-10-3-1-4-11(16)7-10/h1,3-4,7,9,16H,2,5-6,8,14H2
InChIKeyFOPACJBVXFIPIR-UHFFFAOYSA-N
XLogP1.86
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086975
3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine
CID 115004084
3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115078870
[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
CID 65180073
3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083777
4-[5-[(3-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid
CID 61399896
3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
CID 62071460
3-(2-aminoethyl)phenol;thiourea
CID 159787139
2-[5-(2-aminoethyl)-1,3-oxazol-2-yl]ethanol
CID 115084892
1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine
CID 115086713
2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180237
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol?
The IUPAC name of 3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol (CID 115006523) is 3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol?
The canonical SMILES for 3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol is NCCCc1cnc(Cc2cccc(O)c2)o1.
What is the InChIKey of 3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol?
The InChIKey is FOPACJBVXFIPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-6-2-5-12-9-15-13(17-12)8-10-3-1-4-11(16)7-10/h1,3-4,7,9,16H,2,5-6,8,14H2.
What are the key properties of 3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol?
3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol has a molecular weight of 232.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-aminopropyl)-1,3-oxazol-2-yl]methyl]phenol is sourced from PubChem (CID 115006523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).