4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one

C24H22F3N5O3 — CID 67305825

IUPAC4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
SMILESO=C(CN1CCN(c2ccc(C(F)(F)F)cn2)C(=O)C1)N1CCc2nc(-c3ccccc3)oc2C1
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)17-6-7-20(28-12-17)32-11-10-30(15-22(32)34)14-21(33)31-9-8-18-19(13-31)35-23(29-18)16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2
InChIKeyMLWZTQRQKIIQIW-UHFFFAOYSA-N
MW485.47 g/mol
LogP2.99
Rot. Bonds4

About 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one

4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one (PubChem CID 67305825) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
PubChem CID67305825
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
SMILESO=C(CN1CCN(c2ccc(C(F)(F)F)cn2)C(=O)C1)N1CCc2nc(-c3ccccc3)oc2C1
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)17-6-7-20(28-12-17)32-11-10-30(15-22(32)34)14-21(33)31-9-8-18-19(13-31)35-23(29-18)16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2
InChIKeyMLWZTQRQKIIQIW-UHFFFAOYSA-N
XLogP2.99
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one (CID 67305825) is 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one is O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)C(=O)C1)N1CCc2nc(-c3ccccc3)oc2C1.
What is the InChIKey of 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The InChIKey is MLWZTQRQKIIQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c25-24(26,27)17-6-7-20(28-12-17)32-11-10-30(15-22(32)34)14-21(33)31-9-8-18-19(13-31)35-23(29-18)16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2.
What are the key properties of 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one has a molecular weight of 485.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 67305825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).