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

C29H31F4N5O3 — CID 58428562

IUPACN-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1)Nc1ccccc1F
InChIInChI=1S/C29H31F4N5O3/c30-21-6-2-3-7-22(21)35-25(40)17-19-10-14-37(15-11-19)24-9-8-20(18-34-24)16-23(39)26-27(29(31,32)33)36-28(41-26)38-12-4-1-5-13-38/h2-3,6-9,18-19H,1,4-5,10-17H2,(H,35,40)
InChIKeyYMSSNNLSHQQHIR-UHFFFAOYSA-N
MW573.59 g/mol
LogP5.89
Rot. Bonds8

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

N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 58428562) has the molecular formula C29H31F4N5O3 and a molecular weight of 573.59 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID58428562
Molecular FormulaC29H31F4N5O3
Molecular Weight573.59 g/mol
Exact Mass573.24
IUPAC NameN-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1)Nc1ccccc1F
InChIInChI=1S/C29H31F4N5O3/c30-21-6-2-3-7-22(21)35-25(40)17-19-10-14-37(15-11-19)24-9-8-20(18-34-24)16-23(39)26-27(29(31,32)33)36-28(41-26)38-12-4-1-5-13-38/h2-3,6-9,18-19H,1,4-5,10-17H2,(H,35,40)
InChIKeyYMSSNNLSHQQHIR-UHFFFAOYSA-N
XLogP5.89
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.59
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide (CID 58428562) is N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide is O=C(CC1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is YMSSNNLSHQQHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F4N5O3/c30-21-6-2-3-7-22(21)35-25(40)17-19-10-14-37(15-11-19)24-9-8-20(18-34-24)16-23(39)26-27(29(31,32)33)36-28(41-26)38-12-4-1-5-13-38/h2-3,6-9,18-19H,1,4-5,10-17H2,(H,35,40).
What are the key properties of N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide?
N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 573.59 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 58428562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).