4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide

C18H19F2N3O3 — CID 48781654

IUPAC4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)oc1C
InChIInChI=1S/C18H19F2N3O3/c1-10-11(2)26-17(21-10)22-18(25)23-7-5-12(6-8-23)16(24)14-9-13(19)3-4-15(14)20/h3-4,9,12H,5-8H2,1-2H3,(H,21,22,25)
InChIKeyBDURLRLLWARIEL-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.70
Rot. Bonds3

About 4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide

4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide (PubChem CID 48781654) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide
PubChem CID48781654
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)oc1C
InChIInChI=1S/C18H19F2N3O3/c1-10-11(2)26-17(21-10)22-18(25)23-7-5-12(6-8-23)16(24)14-9-13(19)3-4-15(14)20/h3-4,9,12H,5-8H2,1-2H3,(H,21,22,25)
InChIKeyBDURLRLLWARIEL-UHFFFAOYSA-N
XLogP3.70
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide (CID 48781654) is 4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide is Cc1nc(NC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)oc1C.
What is the InChIKey of 4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide?
The InChIKey is BDURLRLLWARIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-10-11(2)26-17(21-10)22-18(25)23-7-5-12(6-8-23)16(24)14-9-13(19)3-4-15(14)20/h3-4,9,12H,5-8H2,1-2H3,(H,21,22,25).
What are the key properties of 4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide?
4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 48781654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).