N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide

C14H14F2N2O4S — CID 71969403

IUPACN-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1cc(F)c(S(=O)(=O)NC(=O)c2ncoc2C(C)C)cc1F
InChIInChI=1S/C14H14F2N2O4S/c1-7(2)13-12(17-6-22-13)14(19)18-23(20,21)11-5-9(15)8(3)4-10(11)16/h4-7H,1-3H3,(H,18,19)
InChIKeySPXIAQMUHLZJJK-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.50
Rot. Bonds4

About N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 71969403) has the molecular formula C14H14F2N2O4S and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID71969403
Molecular FormulaC14H14F2N2O4S
Molecular Weight344.34 g/mol
Exact Mass344.06
IUPAC NameN-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1cc(F)c(S(=O)(=O)NC(=O)c2ncoc2C(C)C)cc1F
InChIInChI=1S/C14H14F2N2O4S/c1-7(2)13-12(17-6-22-13)14(19)18-23(20,21)11-5-9(15)8(3)4-10(11)16/h4-7H,1-3H3,(H,18,19)
InChIKeySPXIAQMUHLZJJK-UHFFFAOYSA-N
XLogP2.50
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 71969403) is N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide is Cc1cc(F)c(S(=O)(=O)NC(=O)c2ncoc2C(C)C)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is SPXIAQMUHLZJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O4S/c1-7(2)13-12(17-6-22-13)14(19)18-23(20,21)11-5-9(15)8(3)4-10(11)16/h4-7H,1-3H3,(H,18,19).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71969403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).