5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide

C24H21F4N3O4 — CID 142705649

IUPAC5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C24H21F4N3O4/c25-17-3-1-2-15(12-17)21-13-20(30-35-21)23(33)29-14-22(32)31-10-8-19(9-11-31)34-18-6-4-16(5-7-18)24(26,27)28/h1-7,12-13,19H,8-11,14H2,(H,29,33)
InChIKeyPNDQGVNJYWBCAU-UHFFFAOYSA-N
MW491.44 g/mol
LogP4.30
Rot. Bonds6

About 5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide

5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 142705649) has the molecular formula C24H21F4N3O4 and a molecular weight of 491.44 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID142705649
Molecular FormulaC24H21F4N3O4
Molecular Weight491.44 g/mol
Exact Mass491.15
IUPAC Name5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C24H21F4N3O4/c25-17-3-1-2-15(12-17)21-13-20(30-35-21)23(33)29-14-22(32)31-10-8-19(9-11-31)34-18-6-4-16(5-7-18)24(26,27)28/h1-7,12-13,19H,8-11,14H2,(H,29,33)
InChIKeyPNDQGVNJYWBCAU-UHFFFAOYSA-N
XLogP4.30
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide (CID 142705649) is 5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide is O=C(NCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1cc(-c2cccc(F)c2)on1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PNDQGVNJYWBCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O4/c25-17-3-1-2-15(12-17)21-13-20(30-35-21)23(33)29-14-22(32)31-10-8-19(9-11-31)34-18-6-4-16(5-7-18)24(26,27)28/h1-7,12-13,19H,8-11,14H2,(H,29,33).
What are the key properties of 5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 491.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 142705649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).