N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine

C18H24FN3O3 — CID 24714493

IUPACN-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1c(-c2ccc(F)cc2)noc1N1CCOCC1
InChIInChI=1S/C18H24FN3O3/c1-23-10-2-7-20-13-16-17(14-3-5-15(19)6-4-14)21-25-18(16)22-8-11-24-12-9-22/h3-6,20H,2,7-13H2,1H3
InChIKeyLGJPIGMVZPUALX-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.44
Rot. Bonds8

About N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine

N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine (PubChem CID 24714493) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine
PubChem CID24714493
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1c(-c2ccc(F)cc2)noc1N1CCOCC1
InChIInChI=1S/C18H24FN3O3/c1-23-10-2-7-20-13-16-17(14-3-5-15(19)6-4-14)21-25-18(16)22-8-11-24-12-9-22/h3-6,20H,2,7-13H2,1H3
InChIKeyLGJPIGMVZPUALX-UHFFFAOYSA-N
XLogP2.44
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine (CID 24714493) is N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine is COCCCNCc1c(-c2ccc(F)cc2)noc1N1CCOCC1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine?
The InChIKey is LGJPIGMVZPUALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-23-10-2-7-20-13-16-17(14-3-5-15(19)6-4-14)21-25-18(16)22-8-11-24-12-9-22/h3-6,20H,2,7-13H2,1H3.
What are the key properties of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine?
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine has a molecular weight of 349.41 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 24714493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).