4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol

C13H16N2O2 — CID 137003028

IUPAC4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
SMILESCNCCCc1cnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C13H16N2O2/c1-14-8-2-3-12-9-15-13(17-12)10-4-6-11(16)7-5-10/h4-7,9,14,16H,2-3,8H2,1H3
InChIKeyNPSGIIMQGOOMDC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.20
Rot. Bonds5

About 4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol

4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol (PubChem CID 137003028) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
PubChem CID137003028
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
SMILESCNCCCc1cnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C13H16N2O2/c1-14-8-2-3-12-9-15-13(17-12)10-4-6-11(16)7-5-10/h4-7,9,14,16H,2-3,8H2,1H3
InChIKeyNPSGIIMQGOOMDC-UHFFFAOYSA-N
XLogP2.20
TPSA58.29 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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003013
3-[2-(5-bromofuran-2-yl)-1,3-oxazol-5-yl]-N-methylpropan-1-amine
CID 115086574
N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115087182
2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
CID 115086866
2-[2-(4-bromophenyl)-1,3-oxazol-5-yl]ethanol
CID 115087329
N-methyl-3-[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115087589
4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol
CID 115091659
N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086973
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
4-[5-(5-methoxypentyl)-1,3-oxazol-2-yl]-N,N-dimethylaniline
CID 154508032
2-(4-bromophenyl)-5-(2-chloroethyl)-1,3-oxazole
CID 57270447
1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087326

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol?
The IUPAC name of 4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol (CID 137003028) is 4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol.
What is the SMILES notation for 4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol?
The canonical SMILES for 4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol is CNCCCc1cnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol?
The InChIKey is NPSGIIMQGOOMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14-8-2-3-12-9-15-13(17-12)10-4-6-11(16)7-5-10/h4-7,9,14,16H,2-3,8H2,1H3.
What are the key properties of 4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol?
4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol has a molecular weight of 232.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol is sourced from PubChem (CID 137003028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).