1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol

C16H24N2O2 — CID 24714490

IUPAC1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol
SMILESCCCC(O)CN(C)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C16H24N2O2/c1-3-7-14(19)11-18(2)12-15-10-16(17-20-15)13-8-5-4-6-9-13/h4-6,8-9,14-15,19H,3,7,10-12H2,1-2H3
InChIKeyXNGSNGCLCKSLKB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.27
Rot. Bonds7

About 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol

1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol (PubChem CID 24714490) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol
PubChem CID24714490
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol
SMILESCCCC(O)CN(C)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C16H24N2O2/c1-3-7-14(19)11-18(2)12-15-10-16(17-20-15)13-8-5-4-6-9-13/h4-6,8-9,14-15,19H,3,7,10-12H2,1-2H3
InChIKeyXNGSNGCLCKSLKB-UHFFFAOYSA-N
XLogP2.27
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol?
The IUPAC name of 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol (CID 24714490) is 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol.
What is the SMILES notation for 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol?
The canonical SMILES for 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol is CCCC(O)CN(C)CC1CC(c2ccccc2)=NO1.
What is the InChIKey of 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol?
The InChIKey is XNGSNGCLCKSLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-7-14(19)11-18(2)12-15-10-16(17-20-15)13-8-5-4-6-9-13/h4-6,8-9,14-15,19H,3,7,10-12H2,1-2H3.
What are the key properties of 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol?
1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]pentan-2-ol is sourced from PubChem (CID 24714490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).