3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide

C16H20N2O4S — CID 71857620

IUPAC3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)N(C)c2ccccc2S(C)(=O)=O)on1
InChIInChI=1S/C16H20N2O4S/c1-5-11(2)12-10-14(22-17-12)16(19)18(3)13-8-6-7-9-15(13)23(4,20)21/h6-11H,5H2,1-4H3
InChIKeyGZPLXBBXEVCOQZ-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.87
Rot. Bonds5

About 3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide

3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 71857620) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID71857620
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)N(C)c2ccccc2S(C)(=O)=O)on1
InChIInChI=1S/C16H20N2O4S/c1-5-11(2)12-10-14(22-17-12)16(19)18(3)13-8-6-7-9-15(13)23(4,20)21/h6-11H,5H2,1-4H3
InChIKeyGZPLXBBXEVCOQZ-UHFFFAOYSA-N
XLogP2.87
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 71990790
(2,3,4,5,6-pentafluorophenyl) 3-butan-2-yl-1,2-oxazole-5-carboxylate
CID 87807235
3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide
CID 110001735
N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 130669877
3-(N-ethyl-2-methylsulfonylanilino)-2-methylpropanoic acid
CID 55123154
2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 71857615
1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
CID 62335208
3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 111477071
3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 167746306
(2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide
CID 97044960
3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide
CID 111471313
2-(N-methyl-2-methylsulfonylanilino)acetic acid
CID 43453480

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide (CID 71857620) is 3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide is CCC(C)c1cc(C(=O)N(C)c2ccccc2S(C)(=O)=O)on1.
What is the InChIKey of 3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GZPLXBBXEVCOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-5-11(2)12-10-14(22-17-12)16(19)18(3)13-8-6-7-9-15(13)23(4,20)21/h6-11H,5H2,1-4H3.
What are the key properties of 3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide?
3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71857620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).