2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide

C10H17N3O2S — CID 106925063

IUPAC2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide
SMILESCNC(C)(CC(C)Sc1ncco1)C(N)=O
InChIInChI=1S/C10H17N3O2S/c1-7(16-9-13-4-5-15-9)6-10(2,12-3)8(11)14/h4-5,7,12H,6H2,1-3H3,(H2,11,14)
InChIKeyOCADOHALSWCJLY-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.01
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide

2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide (PubChem CID 106925063) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide
PubChem CID106925063
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide
SMILESCNC(C)(CC(C)Sc1ncco1)C(N)=O
InChIInChI=1S/C10H17N3O2S/c1-7(16-9-13-4-5-15-9)6-10(2,12-3)8(11)14/h4-5,7,12H,6H2,1-3H3,(H2,11,14)
InChIKeyOCADOHALSWCJLY-UHFFFAOYSA-N
XLogP1.01
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
CID 106924844
2-methyl-2-(methylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanamide
CID 64705307
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
CID 64703761
2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
CID 106925200
4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
CID 64710913
ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
CID 106924911
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide
CID 64704753
2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106924974
2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide
CID 106924972
2-methyl-2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
CID 64709549
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925805
4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide
CID 107771849

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide?
The IUPAC name of 2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide (CID 106925063) is 2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide is CNC(C)(CC(C)Sc1ncco1)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide?
The InChIKey is OCADOHALSWCJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(16-9-13-4-5-15-9)6-10(2,12-3)8(11)14/h4-5,7,12H,6H2,1-3H3,(H2,11,14).
What are the key properties of 2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide?
2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide has a molecular weight of 243.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide is sourced from PubChem (CID 106925063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).