3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

C17H22N4O2 — CID 97230406

IUPAC3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H](NCCc1cnn(C)c1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C17H22N4O2/c1-13(18-7-6-14-11-19-20(2)12-14)15-4-3-5-16(10-15)21-8-9-23-17(21)22/h3-5,10-13,18H,6-9H2,1-2H3/t13-/m0/s1
InChIKeyLIRFIIGGNGCLCO-ZDUSSCGKSA-N
MW314.39 g/mol
LogP2.27
Rot. Bonds6

About 3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 97230406) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID97230406
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H](NCCc1cnn(C)c1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C17H22N4O2/c1-13(18-7-6-14-11-19-20(2)12-14)15-4-3-5-16(10-15)21-8-9-23-17(21)22/h3-5,10-13,18H,6-9H2,1-2H3/t13-/m0/s1
InChIKeyLIRFIIGGNGCLCO-ZDUSSCGKSA-N
XLogP2.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 95244208
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80683784
1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 60614108
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97333757
1-(3,4-dimethylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682865
N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-pyridin-3-ylpropanamide
CID 48822167
3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97107841
3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97333753
1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682464
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 97230406) is 3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is C[C@H](NCCc1cnn(C)c1)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is LIRFIIGGNGCLCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(18-7-6-14-11-19-20(2)12-14)15-4-3-5-16(10-15)21-8-9-23-17(21)22/h3-5,10-13,18H,6-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 314.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97230406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).