2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide

C10H15N3O3S — CID 75413796

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1nc(C)c(C)o1
InChIInChI=1S/C10H15N3O3S/c1-5-6(2)16-10(12-5)17-7(3)8(14)13-9(15)11-4/h7H,1-4H3,(H2,11,13,14,15)
InChIKeyRFBMXSBCYHXVHV-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.23
Rot. Bonds3

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide (PubChem CID 75413796) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
PubChem CID75413796
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1nc(C)c(C)o1
InChIInChI=1S/C10H15N3O3S/c1-5-6(2)16-10(12-5)17-7(3)8(14)13-9(15)11-4/h7H,1-4H3,(H2,11,13,14,15)
InChIKeyRFBMXSBCYHXVHV-UHFFFAOYSA-N
XLogP1.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
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(2R)-N-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 94147564
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 47028191
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide
CID 106926301
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 106372677
N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922306
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 55640345
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7412469
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 16508013
(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 51329528
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7374115

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide (CID 75413796) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Sc1nc(C)c(C)o1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The InChIKey is RFBMXSBCYHXVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5-6(2)16-10(12-5)17-7(3)8(14)13-9(15)11-4/h7H,1-4H3,(H2,11,13,14,15).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide has a molecular weight of 257.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 75413796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).