4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C19H24F3N5O2 — CID 20602973

IUPAC4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCc1cncc(-c2cnc(C(C)(C)N3CCNC(C(=O)NCC(F)(F)F)C3)o2)c1
InChIInChI=1S/C19H24F3N5O2/c1-12-6-13(8-23-7-12)15-9-25-17(29-15)18(2,3)27-5-4-24-14(10-27)16(28)26-11-19(20,21)22/h6-9,14,24H,4-5,10-11H2,1-3H3,(H,26,28)
InChIKeyAZPWNXWPFRUDEZ-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.23
Rot. Bonds5

About 4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 20602973) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is 4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID20602973
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC Name4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCc1cncc(-c2cnc(C(C)(C)N3CCNC(C(=O)NCC(F)(F)F)C3)o2)c1
InChIInChI=1S/C19H24F3N5O2/c1-12-6-13(8-23-7-12)15-9-25-17(29-15)18(2,3)27-5-4-24-14(10-27)16(28)26-11-19(20,21)22/h6-9,14,24H,4-5,10-11H2,1-3H3,(H,26,28)
InChIKeyAZPWNXWPFRUDEZ-UHFFFAOYSA-N
XLogP2.23
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of 4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 20602973) is 4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is Cc1cncc(-c2cnc(C(C)(C)N3CCNC(C(=O)NCC(F)(F)F)C3)o2)c1.
What is the InChIKey of 4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is AZPWNXWPFRUDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-12-6-13(8-23-7-12)15-9-25-17(29-15)18(2,3)27-5-4-24-14(10-27)16(28)26-11-19(20,21)22/h6-9,14,24H,4-5,10-11H2,1-3H3,(H,26,28).
What are the key properties of 4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(5-methyl-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 20602973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).