N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide

C21H24F3N3O2 — CID 73053285

IUPACN-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide
SMILESO=C(c1ccc(-c2cnco2)cc1)N(C1CC1)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)9-12-26-10-7-18(8-11-26)27(17-5-6-17)20(28)16-3-1-15(2-4-16)19-13-25-14-29-19/h1-4,13-14,17-18H,5-12H2
InChIKeySJCUDUQCFOVOED-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.36
Rot. Bonds6

About N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide

N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide (PubChem CID 73053285) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide
PubChem CID73053285
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide
SMILESO=C(c1ccc(-c2cnco2)cc1)N(C1CC1)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)9-12-26-10-7-18(8-11-26)27(17-5-6-17)20(28)16-3-1-15(2-4-16)19-13-25-14-29-19/h1-4,13-14,17-18H,5-12H2
InChIKeySJCUDUQCFOVOED-UHFFFAOYSA-N
XLogP4.36
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide (CID 73053285) is N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide is O=C(c1ccc(-c2cnco2)cc1)N(C1CC1)C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide?
The InChIKey is SJCUDUQCFOVOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c22-21(23,24)9-12-26-10-7-18(8-11-26)27(17-5-6-17)20(28)16-3-1-15(2-4-16)19-13-25-14-29-19/h1-4,13-14,17-18H,5-12H2.
What are the key properties of N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide?
N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide has a molecular weight of 407.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1,3-oxazol-5-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 73053285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).