(5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone

C16H19F2N5O2 — CID 128513428

IUPAC(5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ncoc1C1CC1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C16H19F2N5O2/c17-16(18)23-4-3-19-12(23)9-21-5-7-22(8-6-21)15(24)13-14(11-1-2-11)25-10-20-13/h3-4,10-11,16H,1-2,5-9H2
InChIKeyZLYGNFBNIVWOSK-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.10
Rot. Bonds5

About (5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone

(5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 128513428) has the molecular formula C16H19F2N5O2 and a molecular weight of 351.36 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID128513428
Molecular FormulaC16H19F2N5O2
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC Name(5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ncoc1C1CC1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C16H19F2N5O2/c17-16(18)23-4-3-19-12(23)9-21-5-7-22(8-6-21)15(24)13-14(11-1-2-11)25-10-20-13/h3-4,10-11,16H,1-2,5-9H2
InChIKeyZLYGNFBNIVWOSK-UHFFFAOYSA-N
XLogP2.10
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone (CID 128513428) is (5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone is O=C(c1ncoc1C1CC1)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of (5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is ZLYGNFBNIVWOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O2/c17-16(18)23-4-3-19-12(23)9-21-5-7-22(8-6-21)15(24)13-14(11-1-2-11)25-10-20-13/h3-4,10-11,16H,1-2,5-9H2.
What are the key properties of (5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone?
(5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 351.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3-oxazol-4-yl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 128513428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).