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

C24H31FN2O3 — CID 46014290

IUPAC1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CN(Cc1ccccc1)CC1CC(c2ccccc2F)=NO1
InChIInChI=1S/C24H31FN2O3/c1-18(2)16-29-17-20(28)14-27(13-19-8-4-3-5-9-19)15-21-12-24(26-30-21)22-10-6-7-11-23(22)25/h3-11,18,20-21,28H,12-17H2,1-2H3
InChIKeyRWTSNIIHWPDSRX-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.85
Rot. Bonds11

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

1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 46014290) has the molecular formula C24H31FN2O3 and a molecular weight of 414.52 g/mol. Its IUPAC name is 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID46014290
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CN(Cc1ccccc1)CC1CC(c2ccccc2F)=NO1
InChIInChI=1S/C24H31FN2O3/c1-18(2)16-29-17-20(28)14-27(13-19-8-4-3-5-9-19)15-21-12-24(26-30-21)22-10-6-7-11-23(22)25/h3-11,18,20-21,28H,12-17H2,1-2H3
InChIKeyRWTSNIIHWPDSRX-UHFFFAOYSA-N
XLogP3.85
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 46014290) is 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CN(Cc1ccccc1)CC1CC(c2ccccc2F)=NO1.
What is the InChIKey of 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is RWTSNIIHWPDSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3/c1-18(2)16-29-17-20(28)14-27(13-19-8-4-3-5-9-19)15-21-12-24(26-30-21)22-10-6-7-11-23(22)25/h3-11,18,20-21,28H,12-17H2,1-2H3.
What are the key properties of 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 414.52 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 46014290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).