N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide

C7H10N2O2S — CID 130720594

IUPACN-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESCNC(=O)C(C)Sc1ncco1
InChIInChI=1S/C7H10N2O2S/c1-5(6(10)8-2)12-7-9-3-4-11-7/h3-5H,1-2H3,(H,8,10)
InChIKeyADBTYXACBBZSFM-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide

N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide (PubChem CID 130720594) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
PubChem CID130720594
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC NameN-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESCNC(=O)C(C)Sc1ncco1
InChIInChI=1S/C7H10N2O2S/c1-5(6(10)8-2)12-7-9-3-4-11-7/h3-5H,1-2H3,(H,8,10)
InChIKeyADBTYXACBBZSFM-UHFFFAOYSA-N
XLogP0.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butylsulfanyl-1,3-oxazole
CID 11171120
2-Butylsulfanyl-5-deuterio-1,3-oxazole
CID 134857604
4,4,4-Trifluoro-3-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106921772
3,3,3-Trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106921809
1,1,1-Trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine
CID 106921938
4,4,4-Trifluoro-3-(1,3-oxazol-2-ylsulfanyl)butan-1-amine
CID 106923800
3,3,3-Trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine
CID 106923828
2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106925746
2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine
CID 106925764
2-(3-Fluoropropylsulfanyl)-1,3-oxazole
CID 130660686
N-methyl-N'-[3-(2-oxazolyl)thiopropyl]thiourea
CID 12923387
1-(1,3-Oxazol-2-ylsulfanyl)propan-2-amine
CID 20242471

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide (CID 130720594) is N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide is CNC(=O)C(C)Sc1ncco1.
What is the InChIKey of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide?
The InChIKey is ADBTYXACBBZSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5(6(10)8-2)12-7-9-3-4-11-7/h3-5H,1-2H3,(H,8,10).
What are the key properties of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide?
N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide has a molecular weight of 186.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 130720594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).