2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide

C21H30F3N5O2 — CID 142065690

IUPAC2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
SMILESCCCc1cncc(-c2cnc(C(C)(C)N3CCNCC3)o2)c1.O=CNCC(F)(F)F
InChIInChI=1S/C18H26N4O.C3H4F3NO/c1-4-5-14-10-15(12-20-11-14)16-13-21-17(23-16)18(2,3)22-8-6-19-7-9-22;4-3(5,6)1-7-2-8/h10-13,19H,4-9H2,1-3H3;2H,1H2,(H,7,8)
InChIKeyRMHLXRVAOHUUGA-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.12
Rot. Bonds7

About 2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide

2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide (PubChem CID 142065690) has the molecular formula C21H30F3N5O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound Name2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
PubChem CID142065690
Molecular FormulaC21H30F3N5O2
Molecular Weight441.50 g/mol
Exact Mass441.24
IUPAC Name2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
SMILESCCCc1cncc(-c2cnc(C(C)(C)N3CCNCC3)o2)c1.O=CNCC(F)(F)F
InChIInChI=1S/C18H26N4O.C3H4F3NO/c1-4-5-14-10-15(12-20-11-14)16-13-21-17(23-16)18(2,3)22-8-6-19-7-9-22;4-3(5,6)1-7-2-8/h10-13,19H,4-9H2,1-3H3;2H,1H2,(H,7,8)
InChIKeyRMHLXRVAOHUUGA-UHFFFAOYSA-N
XLogP3.12
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of 2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide (CID 142065690) is 2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for 2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for 2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide is CCCc1cncc(-c2cnc(C(C)(C)N3CCNCC3)o2)c1.O=CNCC(F)(F)F.
What is the InChIKey of 2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is RMHLXRVAOHUUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O.C3H4F3NO/c1-4-5-14-10-15(12-20-11-14)16-13-21-17(23-16)18(2,3)22-8-6-19-7-9-22;4-3(5,6)1-7-2-8/h10-13,19H,4-9H2,1-3H3;2H,1H2,(H,7,8).
What are the key properties of 2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide?
2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 441.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 142065690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).