(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C16H16F3N5O2 — CID 91631510

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)13-8-14(21-9-20-13)23-3-5-24(6-4-23)15(25)11-7-12(26-22-11)10-1-2-10/h7-10H,1-6H2
InChIKeyWPGDCHXEBGOMOQ-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.32
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631510) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631510
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)13-8-14(21-9-20-13)23-3-5-24(6-4-23)15(25)11-7-12(26-22-11)10-1-2-10/h7-10H,1-6H2
InChIKeyWPGDCHXEBGOMOQ-UHFFFAOYSA-N
XLogP2.32
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631510) is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is O=C(c1cc(C2CC2)on1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is WPGDCHXEBGOMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)13-8-14(21-9-20-13)23-3-5-24(6-4-23)15(25)11-7-12(26-22-11)10-1-2-10/h7-10H,1-6H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 367.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).