3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one

C16H18N4O3 — CID 94640750

IUPAC3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Nc1cccc(N2CCOC2=O)c1)c1nc(C2CC2)no1
InChIInChI=1S/C16H18N4O3/c1-10(15-18-14(19-23-15)11-5-6-11)17-12-3-2-4-13(9-12)20-7-8-22-16(20)21/h2-4,9-11,17H,5-8H2,1H3/t10-/m1/s1
InChIKeyDDKOFAGJNLAGPU-SNVBAGLBSA-N
MW314.35 g/mol
LogP3.08
Rot. Bonds5

About 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one

3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 94640750) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one
PubChem CID94640750
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Nc1cccc(N2CCOC2=O)c1)c1nc(C2CC2)no1
InChIInChI=1S/C16H18N4O3/c1-10(15-18-14(19-23-15)11-5-6-11)17-12-3-2-4-13(9-12)20-7-8-22-16(20)21/h2-4,9-11,17H,5-8H2,1H3/t10-/m1/s1
InChIKeyDDKOFAGJNLAGPU-SNVBAGLBSA-N
XLogP3.08
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 71939095
3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43787434
3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one
CID 115918921
3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 62090156
3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 43787438
3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97333753
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoro-4-pyrrolidin-1-ylaniline
CID 71889758
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 167971466
tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate
CID 124846666
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine
CID 94599161
3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 107445145
1-cyclopropyl-3-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]urea
CID 94640742

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one (CID 94640750) is 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one is C[C@@H](Nc1cccc(N2CCOC2=O)c1)c1nc(C2CC2)no1.
What is the InChIKey of 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is DDKOFAGJNLAGPU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(15-18-14(19-23-15)11-5-6-11)17-12-3-2-4-13(9-12)20-7-8-22-16(20)21/h2-4,9-11,17H,5-8H2,1H3/t10-/m1/s1.
What are the key properties of 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 314.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 94640750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).