2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide

C13H21N3O5S — CID 99927603

IUPAC2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)o1
InChIInChI=1S/C13H21N3O5S/c1-4-11-15-9(2)12(21-11)13(17)14-7-10-8-16(5-6-20-10)22(3,18)19/h10H,4-8H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeyGIDOXJWETGGYNN-JTQLQIEISA-N
MW331.39 g/mol
LogP-0.06
Rot. Bonds5

About 2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 99927603) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID99927603
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Name2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)o1
InChIInChI=1S/C13H21N3O5S/c1-4-11-15-9(2)12(21-11)13(17)14-7-10-8-16(5-6-20-10)22(3,18)19/h10H,4-8H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeyGIDOXJWETGGYNN-JTQLQIEISA-N
XLogP-0.06
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide (CID 99927603) is 2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is GIDOXJWETGGYNN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-4-11-15-9(2)12(21-11)13(17)14-7-10-8-16(5-6-20-10)22(3,18)19/h10H,4-8H2,1-3H3,(H,14,17)/t10-/m0/s1.
What are the key properties of 2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 331.39 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 99927603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).