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

C13H21N3O5S — CID 77079880

IUPAC2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2CN(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)
InChIKeyGIDOXJWETGGYNN-UHFFFAOYSA-N
MW331.39 g/mol
LogP-0.06
Rot. Bonds5

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

2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 77079880) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID77079880
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Name2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2CN(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)
InChIKeyGIDOXJWETGGYNN-UHFFFAOYSA-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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Related Compounds

2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
6-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 74230815
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
CID 70785399
2-ethyl-4-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 122563446
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 125166321
N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 99935668
2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 74250803
3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide
CID 56750918

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide (CID 77079880) is 2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCC2CN(S(C)(=O)=O)CCO2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is GIDOXJWETGGYNN-UHFFFAOYSA-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).
What are the key properties of 2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[(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-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 77079880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).