methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate

C24H21NO5 — CID 10272505

IUPACmethyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate
SMILESCOC(=O)C1OC1c1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C24H21NO5/c1-27-24(26)23-22(30-23)16-10-12-17(13-11-16)28-15-14-25-18-6-2-4-8-20(18)29-21-9-5-3-7-19(21)25/h2-13,22-23H,14-15H2,1H3
InChIKeyWXYKSAHIMJECRL-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.62
Rot. Bonds6

About methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate

methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate (PubChem CID 10272505) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate
PubChem CID10272505
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Namemethyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate
SMILESCOC(=O)C1OC1c1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C24H21NO5/c1-27-24(26)23-22(30-23)16-10-12-17(13-11-16)28-15-14-25-18-6-2-4-8-20(18)29-21-9-5-3-7-19(21)25/h2-13,22-23H,14-15H2,1H3
InChIKeyWXYKSAHIMJECRL-UHFFFAOYSA-N
XLogP4.62
TPSA60.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

10-[2-(4-methylphenoxy)ethyl]phenoxazine
CID 123668404
(2S)-2-hydroxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
CID 11223055
(2S)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoate
CID 59905798
2-butoxy-2-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
CID 70299031
3-[4-(2-phenoxazin-10-ylethoxy)phenyl]-2-phenoxypropanoate
CID 18172360
methyl (2S,3R)-3-(4-bromophenyl)oxirane-2-carboxylate
CID 92981046
ethyl 2-[3-[4-(2-phenoxazin-10-ylethoxy)phenyl]butoxy]propanoate
CID 142646597
methyl (2R,3S)-3-(4-cyanophenyl)oxirane-2-carboxylate
CID 42544346
ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate
CID 174272319
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
CID 70035327
CID 70035327
propan-2-yl 2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoate
CID 142223958

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate?
The IUPAC name of methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate (CID 10272505) is methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate.
What is the SMILES notation for methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate?
The canonical SMILES for methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate is COC(=O)C1OC1c1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate?
The InChIKey is WXYKSAHIMJECRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-27-24(26)23-22(30-23)16-10-12-17(13-11-16)28-15-14-25-18-6-2-4-8-20(18)29-21-9-5-3-7-19(21)25/h2-13,22-23H,14-15H2,1H3.
What are the key properties of methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate?
methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate has a molecular weight of 403.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-phenoxazin-10-ylethoxy)phenyl]oxirane-2-carboxylate is sourced from PubChem (CID 10272505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).