3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide

C12H15N3O3 — CID 113290579

IUPAC3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide
SMILESNc1ccc(CCC(=O)N[C@@H]2CONC2=O)cc1
InChIInChI=1S/C12H15N3O3/c13-9-4-1-8(2-5-9)3-6-11(16)14-10-7-18-15-12(10)17/h1-2,4-5,10H,3,6-7,13H2,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyJMDCIEAHQWPBGG-SNVBAGLBSA-N
MW249.27 g/mol
LogP-0.25
Rot. Bonds4

About 3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide

3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide (PubChem CID 113290579) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide
PubChem CID113290579
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide
SMILESNc1ccc(CCC(=O)N[C@@H]2CONC2=O)cc1
InChIInChI=1S/C12H15N3O3/c13-9-4-1-8(2-5-9)3-6-11(16)14-10-7-18-15-12(10)17/h1-2,4-5,10H,3,6-7,13H2,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyJMDCIEAHQWPBGG-SNVBAGLBSA-N
XLogP-0.25
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide
CID 115341599
3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
CID 79524440
3-(4-aminophenyl)-N-morpholin-4-ylpropanamide
CID 83013202
2-[2-oxo-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]amino]ethoxy]acetic acid
CID 79523376
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 113290580
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 110483854
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2-(prop-2-ynylamino)acetamide
CID 79524181
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide (CID 113290579) is 3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide is Nc1ccc(CCC(=O)N[C@@H]2CONC2=O)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide?
The InChIKey is JMDCIEAHQWPBGG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-9-4-1-8(2-5-9)3-6-11(16)14-10-7-18-15-12(10)17/h1-2,4-5,10H,3,6-7,13H2,(H,14,16)(H,15,17)/t10-/m1/s1.
What are the key properties of 3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide?
3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide has a molecular weight of 249.27 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]propanamide is sourced from PubChem (CID 113290579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).