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

C23H29FN2O3 — CID 46014199

IUPAC1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1cccc(F)c1)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C23H29FN2O3/c1-17(2)28-16-21(27)14-26(13-18-7-6-10-20(24)11-18)15-22-12-23(25-29-22)19-8-4-3-5-9-19/h3-11,17,21-22,27H,12-16H2,1-2H3
InChIKeyFIKUOGRGTTXSKB-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.61
Rot. Bonds10

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

1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 46014199) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID46014199
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1cccc(F)c1)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C23H29FN2O3/c1-17(2)28-16-21(27)14-26(13-18-7-6-10-20(24)11-18)15-22-12-23(25-29-22)19-8-4-3-5-9-19/h3-11,17,21-22,27H,12-16H2,1-2H3
InChIKeyFIKUOGRGTTXSKB-UHFFFAOYSA-N
XLogP3.61
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol
CID 24714244
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-prop-2-enoxypropan-2-ol
CID 24714481
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol
CID 24714718
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine
CID 24715618
2-[(3-Fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
CID 42838580
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 42838667
1-[(3-Fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 46014160
[(4-Fluorophenyl)methyl][2-hydroxy-3-(2-methylpropoxy)propyl][(3-phenyl-4,5-dihydro-1,2-oxazol-5-YL)methyl]amine
CID 46014180
(3-Ethoxy-2-hydroxypropyl)[(4-fluorophenyl)methyl][(3-phenyl-4,5-dihydro-1,2-oxazol-5-YL)methyl]amine
CID 46014184
[3-(Benzyloxy)-2-hydroxypropyl][(3-fluorophenyl)methyl][(3-phenyl-4,5-dihydro-1,2-oxazol-5-YL)methyl]amine
CID 46014198
3-{[(3-Fluorophenyl)methyl][(3-phenyl-4,5-dihydro-1,2-oxazol-5-YL)methyl]amino}-2-hydroxypropyl butanoate
CID 46014204
[(3-Fluorophenyl)methyl][2-hydroxy-3-(prop-2-EN-1-yloxy)propyl]{[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}amine
CID 46014215

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol (CID 46014199) is 1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(Cc1cccc(F)c1)CC1CC(c2ccccc2)=NO1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is FIKUOGRGTTXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-17(2)28-16-21(27)14-26(13-18-7-6-10-20(24)11-18)15-22-12-23(25-29-22)19-8-4-3-5-9-19/h3-11,17,21-22,27H,12-16H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
1-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 400.49 g/mol, XLogP of 3.61, 10 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-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 46014199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).