3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide

C18H22FN3O2 — CID 50805656

IUPAC3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2F)c1C(=O)NCCN1CCCCC1
InChIInChI=1S/C18H22FN3O2/c1-13-16(17(21-24-13)14-7-3-4-8-15(14)19)18(23)20-9-12-22-10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,23)
InChIKeyIYIDWNUGMGRNGJ-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.00
Rot. Bonds5

About 3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide

3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 50805656) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID50805656
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2F)c1C(=O)NCCN1CCCCC1
InChIInChI=1S/C18H22FN3O2/c1-13-16(17(21-24-13)14-7-3-4-8-15(14)19)18(23)20-9-12-22-10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,23)
InChIKeyIYIDWNUGMGRNGJ-UHFFFAOYSA-N
XLogP3.00
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
3-(2-fluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805657
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 29195600
1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 67420541
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 17409873
3-(2-chlorophenyl)-5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 42224430
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738
3-(2,6-dichlorophenyl)-N-[2-[4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4576801
3-(furan-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 110682399
3-(2-chlorophenyl)-5-methyl-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]-1,2-oxazole-4-carboxamide
CID 90490516

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide (CID 50805656) is 3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2F)c1C(=O)NCCN1CCCCC1.
What is the InChIKey of 3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is IYIDWNUGMGRNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-13-16(17(21-24-13)14-7-3-4-8-15(14)19)18(23)20-9-12-22-10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,23).
What are the key properties of 3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide?
3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).