oxetan-3-yl N-phenylcarbamate

C10H11NO3 — CID 54313632

IUPACoxetan-3-yl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1COC1
InChIInChI=1S/C10H11NO3/c12-10(14-9-6-13-7-9)11-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKeySMPSYTZCAAMNQR-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.63
Rot. Bonds2

About oxetan-3-yl N-phenylcarbamate

oxetan-3-yl N-phenylcarbamate (PubChem CID 54313632) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is oxetan-3-yl N-phenylcarbamate.

Molecular Properties

Compound Nameoxetan-3-yl N-phenylcarbamate
PubChem CID54313632
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameoxetan-3-yl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1COC1
InChIInChI=1S/C10H11NO3/c12-10(14-9-6-13-7-9)11-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKeySMPSYTZCAAMNQR-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930
(3,5-dimethylcyclohexyl) N-phenylcarbamate
CID 58534443
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
CID 101433203
N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide
CID 121224830
[(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate
CID 20775674
[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate
CID 14184691
[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate
CID 98073845
oxetan-3-yl N-aminocarbamate
CID 67681212
[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl N-phenylcarbamate?
The IUPAC name of oxetan-3-yl N-phenylcarbamate (CID 54313632) is oxetan-3-yl N-phenylcarbamate.
What is the SMILES notation for oxetan-3-yl N-phenylcarbamate?
The canonical SMILES for oxetan-3-yl N-phenylcarbamate is O=C(Nc1ccccc1)OC1COC1.
What is the InChIKey of oxetan-3-yl N-phenylcarbamate?
The InChIKey is SMPSYTZCAAMNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-10(14-9-6-13-7-9)11-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12).
What are the key properties of oxetan-3-yl N-phenylcarbamate?
oxetan-3-yl N-phenylcarbamate has a molecular weight of 193.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl N-phenylcarbamate is sourced from PubChem (CID 54313632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).