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2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide

C28H29ClF3N5O3 — CID 58428573

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1)c1ccccc1Cl
InChIInChI=1S/C28H29ClF3N5O3/c29-21-7-3-2-6-20(21)26(39)34-19-10-14-36(15-11-19)23-9-8-18(17-33-23)16-22(38)24-25(28(30,31)32)35-27(40-24)37-12-4-1-5-13-37/h2-3,6-9,17,19H,1,4-5,10-16H2,(H,34,39)
InChIKeyGYLUHYZWCYCCCB-UHFFFAOYSA-N
MW576.02 g/mol
LogP5.56
Rot. Bonds7

About 2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide

2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide (PubChem CID 58428573) has the molecular formula C28H29ClF3N5O3 and a molecular weight of 576.02 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide
PubChem CID58428573
Molecular FormulaC28H29ClF3N5O3
Molecular Weight576.02 g/mol
Exact Mass575.19
IUPAC Name2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1)c1ccccc1Cl
InChIInChI=1S/C28H29ClF3N5O3/c29-21-7-3-2-6-20(21)26(39)34-19-10-14-36(15-11-19)23-9-8-18(17-33-23)16-22(38)24-25(28(30,31)32)35-27(40-24)37-12-4-1-5-13-37/h2-3,6-9,17,19H,1,4-5,10-16H2,(H,34,39)
InChIKeyGYLUHYZWCYCCCB-UHFFFAOYSA-N
XLogP5.56
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.02
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide (CID 58428573) is 2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?
The InChIKey is GYLUHYZWCYCCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF3N5O3/c29-21-7-3-2-6-20(21)26(39)34-19-10-14-36(15-11-19)23-9-8-18(17-33-23)16-22(38)24-25(28(30,31)32)35-27(40-24)37-12-4-1-5-13-37/h2-3,6-9,17,19H,1,4-5,10-16H2,(H,34,39).
What are the key properties of 2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?
2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide has a molecular weight of 576.02 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 58428573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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