[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea

C10H12N2O3 — CID 86760859

IUPAC[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea
SMILESNC(=O)Nc1ccccc1OC[C@H]1CO1
InChIInChI=1S/C10H12N2O3/c11-10(13)12-8-3-1-2-4-9(8)15-6-7-5-14-7/h1-4,7H,5-6H2,(H3,11,12,13)/t7-/m1/s1
InChIKeySRPBPKZUTGSHCS-SSDOTTSWSA-N
MW208.22 g/mol
LogP0.95
Rot. Bonds4

About [2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea

[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea (PubChem CID 86760859) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is [2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea.

Molecular Properties

Compound Name[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea
PubChem CID86760859
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea
SMILESNC(=O)Nc1ccccc1OC[C@H]1CO1
InChIInChI=1S/C10H12N2O3/c11-10(13)12-8-3-1-2-4-9(8)15-6-7-5-14-7/h1-4,7H,5-6H2,(H3,11,12,13)/t7-/m1/s1
InChIKeySRPBPKZUTGSHCS-SSDOTTSWSA-N
XLogP0.95
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide
CID 150974848
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 86612852
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 10970901
tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen
CID 157082570
N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 141041988
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea?
The IUPAC name of [2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea (CID 86760859) is [2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea.
What is the SMILES notation for [2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea?
The canonical SMILES for [2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea is NC(=O)Nc1ccccc1OC[C@H]1CO1.
What is the InChIKey of [2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea?
The InChIKey is SRPBPKZUTGSHCS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-10(13)12-8-3-1-2-4-9(8)15-6-7-5-14-7/h1-4,7H,5-6H2,(H3,11,12,13)/t7-/m1/s1.
What are the key properties of [2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea?
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea has a molecular weight of 208.22 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea is sourced from PubChem (CID 86760859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).