2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide

C11H17N3OS — CID 106922957

IUPAC2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CSc2nc(C)c(C)o2)CC1
InChIInChI=1S/C11H17N3OS/c1-7-8(2)15-10(14-7)16-6-11(3-4-11)5-9(12)13/h3-6H2,1-2H3,(H3,12,13)
InChIKeyAWIQPMDQPTZGBR-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.49
Rot. Bonds5

About 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide

2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide (PubChem CID 106922957) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide
PubChem CID106922957
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CSc2nc(C)c(C)o2)CC1
InChIInChI=1S/C11H17N3OS/c1-7-8(2)15-10(14-7)16-6-11(3-4-11)5-9(12)13/h3-6H2,1-2H3,(H3,12,13)
InChIKeyAWIQPMDQPTZGBR-UHFFFAOYSA-N
XLogP2.49
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide (CID 106922957) is 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CSc2nc(C)c(C)o2)CC1.
What is the InChIKey of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide?
The InChIKey is AWIQPMDQPTZGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-8(2)15-10(14-7)16-6-11(3-4-11)5-9(12)13/h3-6H2,1-2H3,(H3,12,13).
What are the key properties of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide?
2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide has a molecular weight of 239.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 106922957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).