5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

C9H11ClN4O2 — CID 106390515

IUPAC5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(C(C)Nc2nnc(CCl)o2)o1
InChIInChI=1S/C9H11ClN4O2/c1-5-4-11-8(15-5)6(2)12-9-14-13-7(3-10)16-9/h4,6H,3H2,1-2H3,(H,12,14)
InChIKeyKYAOFSKNQNRMFO-UHFFFAOYSA-N
MW242.67 g/mol
LogP2.28
Rot. Bonds4

About 5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106390515) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106390515
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(C(C)Nc2nnc(CCl)o2)o1
InChIInChI=1S/C9H11ClN4O2/c1-5-4-11-8(15-5)6(2)12-9-14-13-7(3-10)16-9/h4,6H,3H2,1-2H3,(H,12,14)
InChIKeyKYAOFSKNQNRMFO-UHFFFAOYSA-N
XLogP2.28
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106390515) is 5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is Cc1cnc(C(C)Nc2nnc(CCl)o2)o1.
What is the InChIKey of 5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KYAOFSKNQNRMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c1-5-4-11-8(15-5)6(2)12-9-14-13-7(3-10)16-9/h4,6H,3H2,1-2H3,(H,12,14).
What are the key properties of 5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 242.67 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106390515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).