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

C14H18N2O2 — CID 115086866

IUPAC2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
SMILESCNCCCc1cnc(Cc2ccccc2O)o1
InChIInChI=1S/C14H18N2O2/c1-15-8-4-6-12-10-16-14(18-12)9-11-5-2-3-7-13(11)17/h2-3,5,7,10,15,17H,4,6,8-9H2,1H3
InChIKeyJJSFACQFVYVHLB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.12
Rot. Bonds6

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

2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol (PubChem CID 115086866) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
PubChem CID115086866
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol
SMILESCNCCCc1cnc(Cc2ccccc2O)o1
InChIInChI=1S/C14H18N2O2/c1-15-8-4-6-12-10-16-14(18-12)9-11-5-2-3-7-13(11)17/h2-3,5,7,10,15,17H,4,6,8-9H2,1H3
InChIKeyJJSFACQFVYVHLB-UHFFFAOYSA-N
XLogP2.12
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.12
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

N-methyl-3-[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115087589
2-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003013
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one
CID 115086811
4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003028
N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086973
N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085482
2-[[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115086774
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086783
N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085315
[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086766
[2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086764

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol?
The IUPAC name of 2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol (CID 115086866) is 2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol?
The canonical SMILES for 2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol is CNCCCc1cnc(Cc2ccccc2O)o1.
What is the InChIKey of 2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol?
The InChIKey is JJSFACQFVYVHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-8-4-6-12-10-16-14(18-12)9-11-5-2-3-7-13(11)17/h2-3,5,7,10,15,17H,4,6,8-9H2,1H3.
What are the key properties of 2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol?
2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol has a molecular weight of 246.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]methyl]phenol is sourced from PubChem (CID 115086866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).