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

C13H15N3O3 — CID 103930601

IUPAC1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)N[C@@H]3CONC3=O)CC2)cc1
InChIInChI=1S/C13H15N3O3/c14-9-3-1-8(2-4-9)13(5-6-13)12(18)15-10-7-19-16-11(10)17/h1-4,10H,5-7,14H2,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyJMIKEVZJSWFNMC-SNVBAGLBSA-N
MW261.28 g/mol
LogP-0.15
Rot. Bonds3

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

1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 103930601) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide
PubChem CID103930601
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)N[C@@H]3CONC3=O)CC2)cc1
InChIInChI=1S/C13H15N3O3/c14-9-3-1-8(2-4-9)13(5-6-13)12(18)15-10-7-19-16-11(10)17/h1-4,10H,5-7,14H2,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyJMIKEVZJSWFNMC-SNVBAGLBSA-N
XLogP-0.15
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide (CID 103930601) is 1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)N[C@@H]3CONC3=O)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is JMIKEVZJSWFNMC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-9-3-1-8(2-4-9)13(5-6-13)12(18)15-10-7-19-16-11(10)17/h1-4,10H,5-7,14H2,(H,15,18)(H,16,17)/t10-/m1/s1.
What are the key properties of 1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 103930601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).