[4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate

C18H16FNO4 — CID 118719977

IUPAC[4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
SMILESC[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FNO4/c1-11-16(17(21)24-11)20-18(22)23-10-12-2-4-13(5-3-12)14-6-8-15(19)9-7-14/h2-9,11,16H,10H2,1H3,(H,20,22)/t11-,16+/m0/s1
InChIKeyGWBFFSNCFNCVFV-MEDUHNTESA-N
MW329.33 g/mol
LogP3.03
Rot. Bonds4

About [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate

[4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate (PubChem CID 118719977) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate.

Molecular Properties

Compound Name[4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
PubChem CID118719977
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name[4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
SMILESC[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FNO4/c1-11-16(17(21)24-11)20-18(22)23-10-12-2-4-13(5-3-12)14-6-8-15(19)9-7-14/h2-9,11,16H,10H2,1H3,(H,20,22)/t11-,16+/m0/s1
InChIKeyGWBFFSNCFNCVFV-MEDUHNTESA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The IUPAC name of [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate (CID 118719977) is [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate.
What is the SMILES notation for [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The canonical SMILES for [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate is C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The InChIKey is GWBFFSNCFNCVFV-MEDUHNTESA-N. The full InChI is InChI=1S/C18H16FNO4/c1-11-16(17(21)24-11)20-18(22)23-10-12-2-4-13(5-3-12)14-6-8-15(19)9-7-14/h2-9,11,16H,10H2,1H3,(H,20,22)/t11-,16+/m0/s1.
What are the key properties of [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
[4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate has a molecular weight of 329.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)phenyl]methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate is sourced from PubChem (CID 118719977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).