N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide

C12H16N2O3 — CID 100767762

IUPACN-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide
SMILESO=C(NCCOc1ccccc1)N1CCCO1
InChIInChI=1S/C12H16N2O3/c15-12(14-8-4-9-17-14)13-7-10-16-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,13,15)
InChIKeyINZCGMKTXDDESR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.41
Rot. Bonds4

About N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide

N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide (PubChem CID 100767762) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide
PubChem CID100767762
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide
SMILESO=C(NCCOc1ccccc1)N1CCCO1
InChIInChI=1S/C12H16N2O3/c15-12(14-8-4-9-17-14)13-7-10-16-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,13,15)
InChIKeyINZCGMKTXDDESR-UHFFFAOYSA-N
XLogP1.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
N-(2-phenoxyethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690654
N-(3-phenoxypropyl)morpholin-4-amine
CID 83021073
3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 51083543
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721310
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide (CID 100767762) is N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide is O=C(NCCOc1ccccc1)N1CCCO1.
What is the InChIKey of N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide?
The InChIKey is INZCGMKTXDDESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(14-8-4-9-17-14)13-7-10-16-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,13,15).
What are the key properties of N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide?
N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide is sourced from PubChem (CID 100767762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).