N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C10H14N2O2S — CID 107032989

IUPACN-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NCc1ccon1
InChIInChI=1S/C10H14N2O2S/c13-9(5-10(7-15)2-3-10)11-6-8-1-4-14-12-8/h1,4,15H,2-3,5-7H2,(H,11,13)
InChIKeyGICLXYDVKPCGKN-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.39
Rot. Bonds5

About N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107032989) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107032989
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NCc1ccon1
InChIInChI=1S/C10H14N2O2S/c13-9(5-10(7-15)2-3-10)11-6-8-1-4-14-12-8/h1,4,15H,2-3,5-7H2,(H,11,13)
InChIKeyGICLXYDVKPCGKN-UHFFFAOYSA-N
XLogP1.39
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107032989) is N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is O=C(CC1(CS)CC1)NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is GICLXYDVKPCGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-9(5-10(7-15)2-3-10)11-6-8-1-4-14-12-8/h1,4,15H,2-3,5-7H2,(H,11,13).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 226.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107032989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).