3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

C19H26N4O2 — CID 95244208

IUPAC3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H](NCc1cnn(C(C)(C)C)c1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C19H26N4O2/c1-14(20-11-15-12-21-23(13-15)19(2,3)4)16-6-5-7-17(10-16)22-8-9-25-18(22)24/h5-7,10,12-14,20H,8-9,11H2,1-4H3/t14-/m0/s1
InChIKeyNGEJDFAQRWIXAL-AWEZNQCLSA-N
MW342.44 g/mol
LogP3.45
Rot. Bonds5

About 3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 95244208) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID95244208
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H](NCc1cnn(C(C)(C)C)c1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C19H26N4O2/c1-14(20-11-15-12-21-23(13-15)19(2,3)4)16-6-5-7-17(10-16)22-8-9-25-18(22)24/h5-7,10,12-14,20H,8-9,11H2,1-4H3/t14-/m0/s1
InChIKeyNGEJDFAQRWIXAL-AWEZNQCLSA-N
XLogP3.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 95244208) is 3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is C[C@H](NCc1cnn(C(C)(C)C)c1)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is NGEJDFAQRWIXAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(20-11-15-12-21-23(13-15)19(2,3)4)16-6-5-7-17(10-16)22-8-9-25-18(22)24/h5-7,10,12-14,20H,8-9,11H2,1-4H3/t14-/m0/s1.
What are the key properties of 3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95244208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).