N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide

C18H20FN3O2 — CID 90032362

IUPACN-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide
SMILESO=C(NC1CC1)c1cc(F)c(-c2ncco2)c(C2CCNCC2)c1
InChIInChI=1S/C18H20FN3O2/c19-15-10-12(17(23)22-13-1-2-13)9-14(11-3-5-20-6-4-11)16(15)18-21-7-8-24-18/h7-11,13,20H,1-6H2,(H,22,23)
InChIKeyGYCYBSCKSKWLKG-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.84
Rot. Bonds4

About N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide

N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide (PubChem CID 90032362) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide
PubChem CID90032362
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide
SMILESO=C(NC1CC1)c1cc(F)c(-c2ncco2)c(C2CCNCC2)c1
InChIInChI=1S/C18H20FN3O2/c19-15-10-12(17(23)22-13-1-2-13)9-14(11-3-5-20-6-4-11)16(15)18-21-7-8-24-18/h7-11,13,20H,1-6H2,(H,22,23)
InChIKeyGYCYBSCKSKWLKG-UHFFFAOYSA-N
XLogP2.84
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide (CID 90032362) is N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide is O=C(NC1CC1)c1cc(F)c(-c2ncco2)c(C2CCNCC2)c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide?
The InChIKey is GYCYBSCKSKWLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-10-12(17(23)22-13-1-2-13)9-14(11-3-5-20-6-4-11)16(15)18-21-7-8-24-18/h7-11,13,20H,1-6H2,(H,22,23).
What are the key properties of N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide?
N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide has a molecular weight of 329.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-(1,3-oxazol-2-yl)-5-piperidin-4-ylbenzamide is sourced from PubChem (CID 90032362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).