[(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone

C20H23FN2O4 — CID 42402755

IUPAC[(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@@H](C(=O)c2cc(F)ccc2OC)C1
InChIInChI=1S/C20H23FN2O4/c1-4-16-18(12(2)27-22-16)20(25)23-9-5-6-13(11-23)19(24)15-10-14(21)7-8-17(15)26-3/h7-8,10,13H,4-6,9,11H2,1-3H3/t13-/m1/s1
InChIKeyUAOXMBXHKRTTPI-CYBMUJFWSA-N
MW374.41 g/mol
LogP3.43
Rot. Bonds5

About [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone

[(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 42402755) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID42402755
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name[(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@@H](C(=O)c2cc(F)ccc2OC)C1
InChIInChI=1S/C20H23FN2O4/c1-4-16-18(12(2)27-22-16)20(25)23-9-5-6-13(11-23)19(24)15-10-14(21)7-8-17(15)26-3/h7-8,10,13H,4-6,9,11H2,1-3H3/t13-/m1/s1
InChIKeyUAOXMBXHKRTTPI-CYBMUJFWSA-N
XLogP3.43
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-fluoro-4-phenylphenyl)methanone
CID 25283984
[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 24791060
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633386
ethyl 4-[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 25457872
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24791035
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17409724
(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42189380
(5-fluoro-2-methoxyphenyl)-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 45206328
(3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 42191325
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446
1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid
CID 65432629
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124987262

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone (CID 42402755) is [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone is CCc1noc(C)c1C(=O)N1CCC[C@@H](C(=O)c2cc(F)ccc2OC)C1.
What is the InChIKey of [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is UAOXMBXHKRTTPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-4-16-18(12(2)27-22-16)20(25)23-9-5-6-13(11-23)19(24)15-10-14(21)7-8-17(15)26-3/h7-8,10,13H,4-6,9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone?
[(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 374.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 42402755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).