N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

C19H21ClFN3O3 — CID 25453251

IUPACN-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ncoc1C(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H21ClFN3O3/c1-12-18(27-11-22-12)19(26)24-8-6-13(7-9-24)2-5-17(25)23-14-3-4-16(21)15(20)10-14/h3-4,10-11,13H,2,5-9H2,1H3,(H,23,25)
InChIKeyJTZUWSWMPNDXMG-UHFFFAOYSA-N
MW393.85 g/mol
LogP4.05
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 25453251) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID25453251
Molecular FormulaC19H21ClFN3O3
Molecular Weight393.85 g/mol
Exact Mass393.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ncoc1C(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H21ClFN3O3/c1-12-18(27-11-22-12)19(26)24-8-6-13(7-9-24)2-5-17(25)23-14-3-4-16(21)15(20)10-14/h3-4,10-11,13H,2,5-9H2,1H3,(H,23,25)
InChIKeyJTZUWSWMPNDXMG-UHFFFAOYSA-N
XLogP4.05
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide
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CID 45232912
N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide
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CID 42473310
N-(3-chloro-4-fluorophenyl)-3-[1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]propanamide
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N-(3-chloro-4-fluorophenyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
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3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
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N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495502
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25455738
ethyl 4-[[3-(3-chloro-4-fluoroanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide (CID 25453251) is N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide is Cc1ncoc1C(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is JTZUWSWMPNDXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c1-12-18(27-11-22-12)19(26)24-8-6-13(7-9-24)2-5-17(25)23-14-3-4-16(21)15(20)10-14/h3-4,10-11,13H,2,5-9H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 393.85 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25453251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).