(5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C13H15N3O4 — CID 138034327

IUPAC(5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)c1cccc(CCNC(=O)[C@@H]2CNC(=O)O2)c1
InChIInChI=1S/C13H15N3O4/c14-11(17)9-3-1-2-8(6-9)4-5-15-12(18)10-7-16-13(19)20-10/h1-3,6,10H,4-5,7H2,(H2,14,17)(H,15,18)(H,16,19)/t10-/m0/s1
InChIKeyRFVTWQOEJONPJD-JTQLQIEISA-N
MW277.28 g/mol
LogP-0.45
Rot. Bonds5

About (5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 138034327) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is (5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID138034327
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name(5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)c1cccc(CCNC(=O)[C@@H]2CNC(=O)O2)c1
InChIInChI=1S/C13H15N3O4/c14-11(17)9-3-1-2-8(6-9)4-5-15-12(18)10-7-16-13(19)20-10/h1-3,6,10H,4-5,7H2,(H2,14,17)(H,15,18)(H,16,19)/t10-/m0/s1
InChIKeyRFVTWQOEJONPJD-JTQLQIEISA-N
XLogP-0.45
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770333
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119315844
3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119770305
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]benzamide
CID 44560999
3-[2-(oxane-2-carbonylamino)ethyl]benzoic acid
CID 63795107
N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 122131725
3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
CID 119315863
3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide
CID 138034860
N-[2-[3-(methylcarbamoyl)phenyl]ethyl]morpholine-2-carboxamide
CID 119798226
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 138034327) is (5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)c1cccc(CCNC(=O)[C@@H]2CNC(=O)O2)c1.
What is the InChIKey of (5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is RFVTWQOEJONPJD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O4/c14-11(17)9-3-1-2-8(6-9)4-5-15-12(18)10-7-16-13(19)20-10/h1-3,6,10H,4-5,7H2,(H2,14,17)(H,15,18)(H,16,19)/t10-/m0/s1.
What are the key properties of (5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 277.28 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 138034327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).