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

C19H18FN3O2 — CID 56775702

IUPACN-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESFc1ccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)cc1
InChIInChI=1S/C19H18FN3O2/c20-15-6-4-14(5-7-15)11-22-19(12-24-13-19)10-16-9-18(25-23-16)17-3-1-2-8-21-17/h1-9,22H,10-13H2
InChIKeyKLGJVWBTMPRIIB-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.98
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (PubChem CID 56775702) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
PubChem CID56775702
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESFc1ccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)cc1
InChIInChI=1S/C19H18FN3O2/c20-15-6-4-14(5-7-15)11-22-19(12-24-13-19)10-16-9-18(25-23-16)17-3-1-2-8-21-17/h1-9,22H,10-13H2
InChIKeyKLGJVWBTMPRIIB-UHFFFAOYSA-N
XLogP2.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.98
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-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (CID 56775702) is N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is Fc1ccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The InChIKey is KLGJVWBTMPRIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-6-4-14(5-7-15)11-22-19(12-24-13-19)10-16-9-18(25-23-16)17-3-1-2-8-21-17/h1-9,22H,10-13H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine has a molecular weight of 339.37 g/mol, XLogP of 2.98, 6 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-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 56775702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).