2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide

C14H24N2O4S — CID 86923030

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide
SMILESCc1noc(C)c1CS(=O)(=O)CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H24N2O4S/c1-9(2)16(10(3)4)14(17)8-21(18,19)7-13-11(5)15-20-12(13)6/h9-10H,7-8H2,1-6H3
InChIKeyOGGINBMKZPMBHB-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.85
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 86923030) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide
PubChem CID86923030
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide
SMILESCc1noc(C)c1CS(=O)(=O)CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H24N2O4S/c1-9(2)16(10(3)4)14(17)8-21(18,19)7-13-11(5)15-20-12(13)6/h9-10H,7-8H2,1-6H3
InChIKeyOGGINBMKZPMBHB-UHFFFAOYSA-N
XLogP1.85
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanoic acid
CID 82180799
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-(3,5-dimethylphenyl)ethanol
CID 111472429
N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide
CID 86925946
3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 119796957
(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide
CID 94087763
(1S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-(3,4-dimethylphenyl)ethanol
CID 95197515
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82329705
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol
CID 47559752
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonylmethyl]benzoic acid
CID 94805166
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide (CID 86923030) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide is Cc1noc(C)c1CS(=O)(=O)CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is OGGINBMKZPMBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-9(2)16(10(3)4)14(17)8-21(18,19)7-13-11(5)15-20-12(13)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 316.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 86923030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).