N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide

C11H18N2O2S — CID 106377749

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
SMILESCCc1cnc(CNC(=O)C(S)C(C)C)o1
InChIInChI=1S/C11H18N2O2S/c1-4-8-5-12-9(15-8)6-13-11(14)10(16)7(2)3/h5,7,10,16H,4,6H2,1-3H3,(H,13,14)
InChIKeyITRYVKPGSFADLE-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.81
Rot. Bonds5

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide (PubChem CID 106377749) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
PubChem CID106377749
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
SMILESCCc1cnc(CNC(=O)C(S)C(C)C)o1
InChIInChI=1S/C11H18N2O2S/c1-4-8-5-12-9(15-8)6-13-11(14)10(16)7(2)3/h5,7,10,16H,4,6H2,1-3H3,(H,13,14)
InChIKeyITRYVKPGSFADLE-UHFFFAOYSA-N
XLogP1.81
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,3-dimethylbutanamide
CID 106370818
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370868
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 106370829
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylheptanamide
CID 106371015
4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid
CID 106371131
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid
CID 106373938
(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 106374056
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-pentan-2-ylpropanamide
CID 106370877

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide (CID 106377749) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide is CCc1cnc(CNC(=O)C(S)C(C)C)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide?
The InChIKey is ITRYVKPGSFADLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-8-5-12-9(15-8)6-13-11(14)10(16)7(2)3/h5,7,10,16H,4,6H2,1-3H3,(H,13,14).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide has a molecular weight of 242.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide is sourced from PubChem (CID 106377749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).