N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide

C15H24FN3O4S — CID 68734168

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CCC(F)C2)no1
InChIInChI=1S/C15H24FN3O4S/c1-14(2,3)11-8-12(18-23-11)17-13(20)15(4,5)24(21,22)19-7-6-10(16)9-19/h8,10H,6-7,9H2,1-5H3,(H,17,18,20)
InChIKeySEYCXFRWNZNHAI-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.06
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide (PubChem CID 68734168) has the molecular formula C15H24FN3O4S and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide
PubChem CID68734168
Molecular FormulaC15H24FN3O4S
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CCC(F)C2)no1
InChIInChI=1S/C15H24FN3O4S/c1-14(2,3)11-8-12(18-23-11)17-13(20)15(4,5)24(21,22)19-7-6-10(16)9-19/h8,10H,6-7,9H2,1-5H3,(H,17,18,20)
InChIKeySEYCXFRWNZNHAI-UHFFFAOYSA-N
XLogP2.06
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide (CID 68734168) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CCC(F)C2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide?
The InChIKey is SEYCXFRWNZNHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O4S/c1-14(2,3)11-8-12(18-23-11)17-13(20)15(4,5)24(21,22)19-7-6-10(16)9-19/h8,10H,6-7,9H2,1-5H3,(H,17,18,20).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide has a molecular weight of 361.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 68734168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).