benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate

C17H16N2O4 — CID 54479778

IUPACbenzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate
SMILESO=C(NC1C(=O)NC1Oc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H16N2O4/c20-15-14(16(19-15)23-13-9-5-2-6-10-13)18-17(21)22-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H,18,21)(H,19,20)
InChIKeyXOERVRNVCBIKAD-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.82
Rot. Bonds5

About benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate

benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate (PubChem CID 54479778) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate
PubChem CID54479778
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Namebenzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate
SMILESO=C(NC1C(=O)NC1Oc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H16N2O4/c20-15-14(16(19-15)23-13-9-5-2-6-10-13)18-17(21)22-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H,18,21)(H,19,20)
InChIKeyXOERVRNVCBIKAD-UHFFFAOYSA-N
XLogP1.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 70415779
benzyl N-[(2R,3S)-2-(2-bromoethoxy)-4-oxoazetidin-3-yl]carbamate
CID 15858810
benzyl N-[(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxo-1-[[(3S,4R)-2-oxo-4-phenoxyazetidin-3-yl]amino]propan-2-yl]carbamate
CID 57287547
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281418
methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
CID 67630207
benzyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-(3-methylphenoxy)-4-oxoazetidin-3-yl]amino]-1-oxopropan-2-yl]carbamate
CID 10005341
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(2S)-1-[[(2S,3S)-2-(1-bromoethoxy)-4-oxoazetidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 70097158
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate?
The IUPAC name of benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate (CID 54479778) is benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate is O=C(NC1C(=O)NC1Oc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate?
The InChIKey is XOERVRNVCBIKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-15-14(16(19-15)23-13-9-5-2-6-10-13)18-17(21)22-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H,18,21)(H,19,20).
What are the key properties of benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate?
benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate has a molecular weight of 312.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate is sourced from PubChem (CID 54479778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).