3-(phenylmethoxymethyl)oxirane-2-carboxamide

C11H13NO3 — CID 10130485

IUPAC3-(phenylmethoxymethyl)oxirane-2-carboxamide
SMILESNC(=O)C1OC1COCc1ccccc1
InChIInChI=1S/C11H13NO3/c12-11(13)10-9(15-10)7-14-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,12,13)
InChIKeyZNOMNLILPFIRHZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.46
Rot. Bonds5

About 3-(phenylmethoxymethyl)oxirane-2-carboxamide

3-(phenylmethoxymethyl)oxirane-2-carboxamide (PubChem CID 10130485) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)oxirane-2-carboxamide
PubChem CID10130485
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-(phenylmethoxymethyl)oxirane-2-carboxamide
SMILESNC(=O)C1OC1COCc1ccccc1
InChIInChI=1S/C11H13NO3/c12-11(13)10-9(15-10)7-14-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,12,13)
InChIKeyZNOMNLILPFIRHZ-UHFFFAOYSA-N
XLogP0.46
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540
methyl (2S,3R,4R)-3-hydroxy-4-(phenylmethoxymethyl)oxetane-2-carboxylate
CID 15546087
3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
CID 91431609
(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylic acid
CID 102396248
(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbothioamide
CID 146019195
phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone
CID 146165841
2-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 138645338
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 158265028
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)oxirane-2-carboxamide?
The IUPAC name of 3-(phenylmethoxymethyl)oxirane-2-carboxamide (CID 10130485) is 3-(phenylmethoxymethyl)oxirane-2-carboxamide.
What is the SMILES notation for 3-(phenylmethoxymethyl)oxirane-2-carboxamide?
The canonical SMILES for 3-(phenylmethoxymethyl)oxirane-2-carboxamide is NC(=O)C1OC1COCc1ccccc1.
What is the InChIKey of 3-(phenylmethoxymethyl)oxirane-2-carboxamide?
The InChIKey is ZNOMNLILPFIRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-11(13)10-9(15-10)7-14-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,12,13).
What are the key properties of 3-(phenylmethoxymethyl)oxirane-2-carboxamide?
3-(phenylmethoxymethyl)oxirane-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)oxirane-2-carboxamide is sourced from PubChem (CID 10130485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).