4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol

C17H18N2O2 — CID 71853717

IUPAC4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N(C)c1nc2ccccc2o1
InChIInChI=1S/C17H18N2O2/c1-12(11-13-7-9-14(20)10-8-13)19(2)17-18-15-5-3-4-6-16(15)21-17/h3-10,12,20H,11H2,1-2H3
InChIKeyIGHSHZMNIUTPFW-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.60
Rot. Bonds4

About 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol

4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol (PubChem CID 71853717) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol
PubChem CID71853717
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N(C)c1nc2ccccc2o1
InChIInChI=1S/C17H18N2O2/c1-12(11-13-7-9-14(20)10-8-13)19(2)17-18-15-5-3-4-6-16(15)21-17/h3-10,12,20H,11H2,1-2H3
InChIKeyIGHSHZMNIUTPFW-UHFFFAOYSA-N
XLogP3.60
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]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-[1,3-benzoxazol-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 63223801
N-iodo-N-methyl-1,3-benzoxazol-2-amine
CID 142874451
1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 54979252
2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol
CID 156778570
2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol
CID 60979792
N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine
CID 61034495
methyl 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-iodopropanoate
CID 23362209
diethyl 2-[[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]methyl]butanedioate
CID 10049617
5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
CID 170202374
3-[amino(1,3-benzoxazol-2-yl)amino]butanenitrile
CID 13373834
methyl 3-[1,3-benzoxazol-2-yl(ethyl)amino]propanoate
CID 62007408

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol (CID 71853717) is 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol is CC(Cc1ccc(O)cc1)N(C)c1nc2ccccc2o1.
What is the InChIKey of 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol?
The InChIKey is IGHSHZMNIUTPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(11-13-7-9-14(20)10-8-13)19(2)17-18-15-5-3-4-6-16(15)21-17/h3-10,12,20H,11H2,1-2H3.
What are the key properties of 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol?
4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol has a molecular weight of 282.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol is sourced from PubChem (CID 71853717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).