1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol

C16H22N2O2 — CID 106417399

IUPAC1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol
SMILESCC(C)Cc1ccc(C(O)CNCc2ccno2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(2)9-13-3-5-14(6-4-13)16(19)11-17-10-15-7-8-18-20-15/h3-8,12,16-17,19H,9-11H2,1-2H3
InChIKeyWUJDFQMLPHETBS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.70
Rot. Bonds7

About 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol

1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol (PubChem CID 106417399) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol
PubChem CID106417399
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol
SMILESCC(C)Cc1ccc(C(O)CNCc2ccno2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(2)9-13-3-5-14(6-4-13)16(19)11-17-10-15-7-8-18-20-15/h3-8,12,16-17,19H,9-11H2,1-2H3
InChIKeyWUJDFQMLPHETBS-UHFFFAOYSA-N
XLogP2.70
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol 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

1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol
CID 113223093
2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol
CID 103605063
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 61014998
1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
CID 83142065
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
CID 106130457
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
4-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 66091850
2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 106188249
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol (CID 106417399) is 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol is CC(C)Cc1ccc(C(O)CNCc2ccno2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol?
The InChIKey is WUJDFQMLPHETBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)9-13-3-5-14(6-4-13)16(19)11-17-10-15-7-8-18-20-15/h3-8,12,16-17,19H,9-11H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol?
1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol is sourced from PubChem (CID 106417399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).