N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide

C15H16F3N3O4S — CID 113145297

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
SMILESCc1cc(NC(=O)CCN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)no1
InChIInChI=1S/C15H16F3N3O4S/c1-10-9-13(20-25-10)19-14(22)7-8-21(26(2,23)24)12-5-3-11(4-6-12)15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyHFMQYFKNYCJOLA-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.80
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide (PubChem CID 113145297) has the molecular formula C15H16F3N3O4S and a molecular weight of 391.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
PubChem CID113145297
Molecular FormulaC15H16F3N3O4S
Molecular Weight391.37 g/mol
Exact Mass391.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
SMILESCc1cc(NC(=O)CCN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)no1
InChIInChI=1S/C15H16F3N3O4S/c1-10-9-13(20-25-10)19-14(22)7-8-21(26(2,23)24)12-5-3-11(4-6-12)15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyHFMQYFKNYCJOLA-UHFFFAOYSA-N
XLogP2.80
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142554
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113143240
3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142224
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113147417
N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145043
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113143288
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26699893

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide (CID 113145297) is N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide is Cc1cc(NC(=O)CCN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The InChIKey is HFMQYFKNYCJOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4S/c1-10-9-13(20-25-10)19-14(22)7-8-21(26(2,23)24)12-5-3-11(4-6-12)15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide has a molecular weight of 391.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 113145297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).