4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide

C14H14F2N2O4S — CID 71906668

IUPAC4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide
SMILESO=C(CCCc1cc(F)ccc1F)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C14H14F2N2O4S/c15-11-4-5-13(16)10(8-11)2-1-3-14(19)18-23(20,21)9-12-6-7-22-17-12/h4-8H,1-3,9H2,(H,18,19)
InChIKeyCCROEKLNJOOGQX-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.92
Rot. Bonds7

About 4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide

4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide (PubChem CID 71906668) has the molecular formula C14H14F2N2O4S and a molecular weight of 344.34 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide
PubChem CID71906668
Molecular FormulaC14H14F2N2O4S
Molecular Weight344.34 g/mol
Exact Mass344.06
IUPAC Name4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide
SMILESO=C(CCCc1cc(F)ccc1F)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C14H14F2N2O4S/c15-11-4-5-13(16)10(8-11)2-1-3-14(19)18-23(20,21)9-12-6-7-22-17-12/h4-8H,1-3,9H2,(H,18,19)
InChIKeyCCROEKLNJOOGQX-UHFFFAOYSA-N
XLogP1.92
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
CID 56800236
N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]oxane-4-carboxamide
CID 71882511
2,4-dimethyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
CID 71982396
3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
CID 71982404
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71997620
2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 84585738
(3-Phenyl-1,2-oxazol-5-yl)methanesulfonamide
CID 54592547
1-(3-fluorophenyl)-N-(2-(3-methylisoxazol-5-yl)ethyl)methanesulfonamide
CID 71789767
N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 126822335
2-Fluoro-4-(1,2-oxazol-3-yl)benzenesulfonamide
CID 69878590
Methyl [3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methanesulfonate
CID 87713513
Methyl [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methanesulfonate
CID 87713735

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide?
The IUPAC name of 4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide (CID 71906668) is 4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide is O=C(CCCc1cc(F)ccc1F)NS(=O)(=O)Cc1ccon1.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide?
The InChIKey is CCROEKLNJOOGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O4S/c15-11-4-5-13(16)10(8-11)2-1-3-14(19)18-23(20,21)9-12-6-7-22-17-12/h4-8H,1-3,9H2,(H,18,19).
What are the key properties of 4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide?
4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide has a molecular weight of 344.34 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)butanamide is sourced from PubChem (CID 71906668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).