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

C21H21FN2O3 — CID 56775649

IUPACN-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESFc1ccc(CNC2(Cc3cc(COc4ccccc4)on3)COC2)cc1
InChIInChI=1S/C21H21FN2O3/c22-17-8-6-16(7-9-17)12-23-21(14-25-15-21)11-18-10-20(27-24-18)13-26-19-4-2-1-3-5-19/h1-10,23H,11-15H2
InChIKeyWWNNFBADLLVZTH-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.49
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (PubChem CID 56775649) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
PubChem CID56775649
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESFc1ccc(CNC2(Cc3cc(COc4ccccc4)on3)COC2)cc1
InChIInChI=1S/C21H21FN2O3/c22-17-8-6-16(7-9-17)12-23-21(14-25-15-21)11-18-10-20(27-24-18)13-26-19-4-2-1-3-5-19/h1-10,23H,11-15H2
InChIKeyWWNNFBADLLVZTH-UHFFFAOYSA-N
XLogP3.49
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (CID 56775649) is N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is Fc1ccc(CNC2(Cc3cc(COc4ccccc4)on3)COC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The InChIKey is WWNNFBADLLVZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-17-8-6-16(7-9-17)12-23-21(14-25-15-21)11-18-10-20(27-24-18)13-26-19-4-2-1-3-5-19/h1-10,23H,11-15H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine has a molecular weight of 368.41 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is sourced from PubChem (CID 56775649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).