5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide

C16H18F3N5O2 — CID 120810621

IUPAC5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H18F3N5O2/c17-16(18,19)14(24-6-4-20-5-7-24)10-22-15(25)12-8-13(26-23-12)11-2-1-3-21-9-11/h1-3,8-9,14,20H,4-7,10H2,(H,22,25)
InChIKeyMZEYVTVQSHNBKC-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.30
Rot. Bonds5

About 5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide

5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 120810621) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID120810621
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H18F3N5O2/c17-16(18,19)14(24-6-4-20-5-7-24)10-22-15(25)12-8-13(26-23-12)11-2-1-3-21-9-11/h1-3,8-9,14,20H,4-7,10H2,(H,22,25)
InChIKeyMZEYVTVQSHNBKC-UHFFFAOYSA-N
XLogP1.30
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide (CID 120810621) is 5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1cc(-c2cccnc2)on1.
What is the InChIKey of 5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MZEYVTVQSHNBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c17-16(18,19)14(24-6-4-20-5-7-24)10-22-15(25)12-8-13(26-23-12)11-2-1-3-21-9-11/h1-3,8-9,14,20H,4-7,10H2,(H,22,25).
What are the key properties of 5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 120810621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).