1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol

C24H29FN2O3 — CID 46014215

IUPAC1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN(Cc1cccc(F)c1)CC1CC(c2ccccc2C)=NO1
InChIInChI=1S/C24H29FN2O3/c1-3-11-29-17-21(28)15-27(14-19-8-6-9-20(25)12-19)16-22-13-24(26-30-22)23-10-5-4-7-18(23)2/h3-10,12,21-22,28H,1,11,13-17H2,2H3
InChIKeyQDOJHBXEYVTYIG-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.69
Rot. Bonds11

About 1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol

1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol (PubChem CID 46014215) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
PubChem CID46014215
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN(Cc1cccc(F)c1)CC1CC(c2ccccc2C)=NO1
InChIInChI=1S/C24H29FN2O3/c1-3-11-29-17-21(28)15-27(14-19-8-6-9-20(25)12-19)16-22-13-24(26-30-22)23-10-5-4-7-18(23)2/h3-10,12,21-22,28H,1,11,13-17H2,2H3
InChIKeyQDOJHBXEYVTYIG-UHFFFAOYSA-N
XLogP3.69
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-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-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol (CID 46014215) is 1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CN(Cc1cccc(F)c1)CC1CC(c2ccccc2C)=NO1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol?
The InChIKey is QDOJHBXEYVTYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-3-11-29-17-21(28)15-27(14-19-8-6-9-20(25)12-19)16-22-13-24(26-30-22)23-10-5-4-7-18(23)2/h3-10,12,21-22,28H,1,11,13-17H2,2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol?
1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol has a molecular weight of 412.51 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 46014215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).