N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide

C18H21F3N4O5S — CID 156548932

IUPACN-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCCC1CN(S(=O)(=O)NC(=O)c2coc(Nc3cc(C(F)(F)F)ccc3C)n2)CCO1
InChIInChI=1S/C18H21F3N4O5S/c1-3-13-9-25(6-7-29-13)31(27,28)24-16(26)15-10-30-17(23-15)22-14-8-12(18(19,20)21)5-4-11(14)2/h4-5,8,10,13H,3,6-7,9H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyBEIQWUGAGDMUSB-UHFFFAOYSA-N
MW462.45 g/mol
LogP2.83
Rot. Bonds6

About N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide

N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide (PubChem CID 156548932) has the molecular formula C18H21F3N4O5S and a molecular weight of 462.45 g/mol. Its IUPAC name is N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
PubChem CID156548932
Molecular FormulaC18H21F3N4O5S
Molecular Weight462.45 g/mol
Exact Mass462.12
IUPAC NameN-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCCC1CN(S(=O)(=O)NC(=O)c2coc(Nc3cc(C(F)(F)F)ccc3C)n2)CCO1
InChIInChI=1S/C18H21F3N4O5S/c1-3-13-9-25(6-7-29-13)31(27,28)24-16(26)15-10-30-17(23-15)22-14-8-12(18(19,20)21)5-4-11(14)2/h4-5,8,10,13H,3,6-7,9H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyBEIQWUGAGDMUSB-UHFFFAOYSA-N
XLogP2.83
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide (CID 156548932) is N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide is CCC1CN(S(=O)(=O)NC(=O)c2coc(Nc3cc(C(F)(F)F)ccc3C)n2)CCO1.
What is the InChIKey of N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is BEIQWUGAGDMUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O5S/c1-3-13-9-25(6-7-29-13)31(27,28)24-16(26)15-10-30-17(23-15)22-14-8-12(18(19,20)21)5-4-11(14)2/h4-5,8,10,13H,3,6-7,9H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 462.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylmorpholin-4-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156548932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).