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

C16H19FN2O3 — CID 56775542

IUPACN-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCOCc1cc(CC2(NCc3ccccc3F)COC2)no1
InChIInChI=1S/C16H19FN2O3/c1-20-9-14-6-13(19-22-14)7-16(10-21-11-16)18-8-12-4-2-3-5-15(12)17/h2-6,18H,7-11H2,1H3
InChIKeyXIBFVMBSNOEGHX-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.06
Rot. Bonds7

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

N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (PubChem CID 56775542) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
PubChem CID56775542
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCOCc1cc(CC2(NCc3ccccc3F)COC2)no1
InChIInChI=1S/C16H19FN2O3/c1-20-9-14-6-13(19-22-14)7-16(10-21-11-16)18-8-12-4-2-3-5-15(12)17/h2-6,18H,7-11H2,1H3
InChIKeyXIBFVMBSNOEGHX-UHFFFAOYSA-N
XLogP2.06
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (CID 56775542) is N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is COCc1cc(CC2(NCc3ccccc3F)COC2)no1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The InChIKey is XIBFVMBSNOEGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-20-9-14-6-13(19-22-14)7-16(10-21-11-16)18-8-12-4-2-3-5-15(12)17/h2-6,18H,7-11H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine has a molecular weight of 306.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is sourced from PubChem (CID 56775542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).