2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

C13H18N4O2S — CID 63940243

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCc1noc(C)c1CSCC(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H18N4O2S/c1-9-11(10(2)19-16-9)7-20-8-13(18)17(3)6-12-14-4-5-15-12/h4-5H,6-8H2,1-3H3,(H,14,15)
InChIKeyFEQXWORPCUFEJI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.91
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (PubChem CID 63940243) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
PubChem CID63940243
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCc1noc(C)c1CSCC(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H18N4O2S/c1-9-11(10(2)19-16-9)7-20-8-13(18)17(3)6-12-14-4-5-15-12/h4-5H,6-8H2,1-3H3,(H,14,15)
InChIKeyFEQXWORPCUFEJI-UHFFFAOYSA-N
XLogP1.91
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide with MolForge

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 63939846
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63939272
N-(1H-imidazol-2-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 64518245
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 84603513
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 86906521
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511666
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-(1H-imidazol-2-ylmethyl)-N-methylheptanamide
CID 63940803
N-(cyanomethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-phenylacetamide
CID 112777798

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (CID 63940243) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is Cc1noc(C)c1CSCC(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The InChIKey is FEQXWORPCUFEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-11(10(2)19-16-9)7-20-8-13(18)17(3)6-12-14-4-5-15-12/h4-5H,6-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide has a molecular weight of 294.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 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)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 63940243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).