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

C8H12N2O2S — CID 106377758

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
SMILESCc1cnc(CNC(=O)C(C)S)o1
InChIInChI=1S/C8H12N2O2S/c1-5-3-9-7(12-5)4-10-8(11)6(2)13/h3,6,13H,4H2,1-2H3,(H,10,11)
InChIKeyFXIOKMTYTNAXRD-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.92
Rot. Bonds3

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide (PubChem CID 106377758) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
PubChem CID106377758
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
SMILESCc1cnc(CNC(=O)C(C)S)o1
InChIInChI=1S/C8H12N2O2S/c1-5-3-9-7(12-5)4-10-8(11)6(2)13/h3,6,13H,4H2,1-2H3,(H,10,11)
InChIKeyFXIOKMTYTNAXRD-UHFFFAOYSA-N
XLogP0.92
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.92
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

2-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371516
(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797057
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106372293
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 113266895
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 103827683
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 114180578
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
3-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371442

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide (CID 106377758) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide is Cc1cnc(CNC(=O)C(C)S)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide?
The InChIKey is FXIOKMTYTNAXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-3-9-7(12-5)4-10-8(11)6(2)13/h3,6,13H,4H2,1-2H3,(H,10,11).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide has a molecular weight of 200.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide is sourced from PubChem (CID 106377758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).