2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide

C17H19FN2O5S — CID 102557126

IUPAC2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)NS(=O)(=O)CC1CCCCO1
InChIInChI=1S/C17H19FN2O5S/c18-13-6-4-12(5-7-13)17-19-14(10-25-17)9-16(21)20-26(22,23)11-15-3-1-2-8-24-15/h4-7,10,15H,1-3,8-9,11H2,(H,20,21)
InChIKeyLMBQSBRPYQOXJG-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.04
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide (PubChem CID 102557126) has the molecular formula C17H19FN2O5S and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide
PubChem CID102557126
Molecular FormulaC17H19FN2O5S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)NS(=O)(=O)CC1CCCCO1
InChIInChI=1S/C17H19FN2O5S/c18-13-6-4-12(5-7-13)17-19-14(10-25-17)9-16(21)20-26(22,23)11-15-3-1-2-8-24-15/h4-7,10,15H,1-3,8-9,11H2,(H,20,21)
InChIKeyLMBQSBRPYQOXJG-UHFFFAOYSA-N
XLogP2.04
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 98284648
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512816
N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119477271
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119603433
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 111332922
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119557739
N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 71887483
2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
CID 119195424
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400397
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119998364

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide (CID 102557126) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide is O=C(Cc1coc(-c2ccc(F)cc2)n1)NS(=O)(=O)CC1CCCCO1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide?
The InChIKey is LMBQSBRPYQOXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S/c18-13-6-4-12(5-7-13)17-19-14(10-25-17)9-16(21)20-26(22,23)11-15-3-1-2-8-24-15/h4-7,10,15H,1-3,8-9,11H2,(H,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide?
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide has a molecular weight of 382.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 102557126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).