4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide

C17H22F3N5O2 — CID 146083476

IUPAC4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(F)(F)F
InChIInChI=1S/C17H22F3N5O2/c1-16(2,17(18,19)20)10-22-15(26)25-7-5-24(6-8-25)14-12(9-21)23-13(27-14)11-3-4-11/h11H,3-8,10H2,1-2H3,(H,22,26)
InChIKeyMAWRPYWSNUBIPP-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.84
Rot. Bonds4

About 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide

4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide (PubChem CID 146083476) has the molecular formula C17H22F3N5O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide
PubChem CID146083476
Molecular FormulaC17H22F3N5O2
Molecular Weight385.39 g/mol
Exact Mass385.17
IUPAC Name4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(F)(F)F
InChIInChI=1S/C17H22F3N5O2/c1-16(2,17(18,19)20)10-22-15(26)25-7-5-24(6-8-25)14-12(9-21)23-13(27-14)11-3-4-11/h11H,3-8,10H2,1-2H3,(H,22,26)
InChIKeyMAWRPYWSNUBIPP-UHFFFAOYSA-N
XLogP2.84
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide (CID 146083476) is 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide is CC(C)(CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(F)(F)F.
What is the InChIKey of 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide?
The InChIKey is MAWRPYWSNUBIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O2/c1-16(2,17(18,19)20)10-22-15(26)25-7-5-24(6-8-25)14-12(9-21)23-13(27-14)11-3-4-11/h11H,3-8,10H2,1-2H3,(H,22,26).
What are the key properties of 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide?
4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 146083476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).