1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone

C13H15NO3 — CID 113375734

IUPAC1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccccc1C(=O)N1CCCO1
InChIInChI=1S/C13H15NO3/c1-2-9-16-12-7-4-3-6-11(12)13(15)14-8-5-10-17-14/h2-4,6-7H,1,5,8-10H2
InChIKeyRKLCJGMBIOOOAR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.03
Rot. Bonds4

About 1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone

1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone (PubChem CID 113375734) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone
PubChem CID113375734
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccccc1C(=O)N1CCCO1
InChIInChI=1S/C13H15NO3/c1-2-9-16-12-7-4-3-6-11(12)13(15)14-8-5-10-17-14/h2-4,6-7H,1,5,8-10H2
InChIKeyRKLCJGMBIOOOAR-UHFFFAOYSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 43355997
(2R)-1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 79035089
(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 43417500
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119403725
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248384
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 126836712
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-prop-2-enoxyphenyl)methanone
CID 120658652
(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119381620
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone?
The IUPAC name of 1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone (CID 113375734) is 1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for 1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone?
The canonical SMILES for 1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone is C=CCOc1ccccc1C(=O)N1CCCO1.
What is the InChIKey of 1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone?
The InChIKey is RKLCJGMBIOOOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-9-16-12-7-4-3-6-11(12)13(15)14-8-5-10-17-14/h2-4,6-7H,1,5,8-10H2.
What are the key properties of 1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone?
1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone has a molecular weight of 233.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 113375734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).