2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide

C20H22FN3O5S — CID 51348564

IUPAC2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)S(=O)(=O)c3ccc(F)cc3)on2)o1
InChIInChI=1S/C20H22FN3O5S/c1-12-22-11-16(28-12)19(2,3)15-10-17(29-24-15)23-18(25)20(4,5)30(26,27)14-8-6-13(21)7-9-14/h6-11H,1-5H3,(H,23,25)
InChIKeyDFANPHKSGMEOSY-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.63
Rot. Bonds6

About 2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide

2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide (PubChem CID 51348564) has the molecular formula C20H22FN3O5S and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
PubChem CID51348564
Molecular FormulaC20H22FN3O5S
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC Name2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)S(=O)(=O)c3ccc(F)cc3)on2)o1
InChIInChI=1S/C20H22FN3O5S/c1-12-22-11-16(28-12)19(2,3)15-10-17(29-24-15)23-18(25)20(4,5)30(26,27)14-8-6-13(21)7-9-14/h6-11H,1-5H3,(H,23,25)
InChIKeyDFANPHKSGMEOSY-UHFFFAOYSA-N
XLogP3.63
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide (CID 51348564) is 2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide is Cc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)S(=O)(=O)c3ccc(F)cc3)on2)o1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The InChIKey is DFANPHKSGMEOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O5S/c1-12-22-11-16(28-12)19(2,3)15-10-17(29-24-15)23-18(25)20(4,5)30(26,27)14-8-6-13(21)7-9-14/h6-11H,1-5H3,(H,23,25).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide has a molecular weight of 435.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 51348564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).