N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide

C17H17F2N3O3 — CID 47089070

IUPACN-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3c(F)cccc3F)CC2)on1
InChIInChI=1S/C17H17F2N3O3/c1-10-9-14(25-21-10)16(23)20-11-5-7-22(8-6-11)17(24)15-12(18)3-2-4-13(15)19/h2-4,9,11H,5-8H2,1H3,(H,20,23)
InChIKeyILMVEDTYEPYMLA-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.30
Rot. Bonds3

About N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 47089070) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID47089070
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC NameN-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3c(F)cccc3F)CC2)on1
InChIInChI=1S/C17H17F2N3O3/c1-10-9-14(25-21-10)16(23)20-11-5-7-22(8-6-11)17(24)15-12(18)3-2-4-13(15)19/h2-4,9,11H,5-8H2,1H3,(H,20,23)
InChIKeyILMVEDTYEPYMLA-UHFFFAOYSA-N
XLogP2.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 127423482
N-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51106945
3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 51133124
3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 94797390
1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea
CID 51092058
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 47170091
(2,6-difluorophenyl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 54923672
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108563814
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235
3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 47089197
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 108567325

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 47089070) is N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)c3c(F)cccc3F)CC2)on1.
What is the InChIKey of N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ILMVEDTYEPYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-10-9-14(25-21-10)16(23)20-11-5-7-22(8-6-11)17(24)15-12(18)3-2-4-13(15)19/h2-4,9,11H,5-8H2,1H3,(H,20,23).
What are the key properties of N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47089070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).