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

C19H24F3N5O3 — CID 20602972

IUPAC4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCOc1cncc(-c2cnc(C(C)(C)N3CCNC(C(=O)NCC(F)(F)F)C3)o2)c1
InChIInChI=1S/C19H24F3N5O3/c1-18(2,17-25-9-15(30-17)12-6-13(29-3)8-23-7-12)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)
InChIKeyROPVTWOBDHIKON-UHFFFAOYSA-N
MW427.43 g/mol
LogP1.93
Rot. Bonds6

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

4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 20602972) has the molecular formula C19H24F3N5O3 and a molecular weight of 427.43 g/mol. Its IUPAC name is 4-[2-[5-(5-methoxy-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-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID20602972
Molecular FormulaC19H24F3N5O3
Molecular Weight427.43 g/mol
Exact Mass427.18
IUPAC Name4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCOc1cncc(-c2cnc(C(C)(C)N3CCNC(C(=O)NCC(F)(F)F)C3)o2)c1
InChIInChI=1S/C19H24F3N5O3/c1-18(2,17-25-9-15(30-17)12-6-13(29-3)8-23-7-12)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)
InChIKeyROPVTWOBDHIKON-UHFFFAOYSA-N
XLogP1.93
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(5-methoxy-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-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 20602972) is 4-[2-[5-(5-methoxy-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-methoxy-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-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is COc1cncc(-c2cnc(C(C)(C)N3CCNC(C(=O)NCC(F)(F)F)C3)o2)c1.
What is the InChIKey of 4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is ROPVTWOBDHIKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O3/c1-18(2,17-25-9-15(30-17)12-6-13(29-3)8-23-7-12)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-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 20602972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).