5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine

C10H14ClN3O — CID 131000627

IUPAC5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
SMILESCC1(C2(Nc3nnc(CCl)o3)CC2)CC1
InChIInChI=1S/C10H14ClN3O/c1-9(2-3-9)10(4-5-10)12-8-14-13-7(6-11)15-8/h2-6H2,1H3,(H,12,14)
InChIKeyGLLPOQNEFVLGIG-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.55
Rot. Bonds4

About 5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine (PubChem CID 131000627) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
PubChem CID131000627
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine
SMILESCC1(C2(Nc3nnc(CCl)o3)CC2)CC1
InChIInChI=1S/C10H14ClN3O/c1-9(2-3-9)10(4-5-10)12-8-14-13-7(6-11)15-8/h2-6H2,1H3,(H,12,14)
InChIKeyGLLPOQNEFVLGIG-UHFFFAOYSA-N
XLogP2.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-N-[(1-cyclopropylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
CID 105669263
5-(chloromethyl)-N-[(1-cyclopropylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
CID 105669264
5-(chloromethyl)-N-[(1-propylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
CID 105716645
5-(chloromethyl)-N-[(2,2-dimethylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
CID 105771001
5-(1-chloroethyl)-N-(2-cyclopropylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105789690
5-(chloromethyl)-N-(2-cyclopropylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105789691
5-(chloromethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
CID 105805576
5-(chloromethyl)-N-(3-methylpentan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106332543
5-(chloromethyl)-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106956297
5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106957108
5-(chloromethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957361
5-(1-chloroethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957362

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine (CID 131000627) is 5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine is CC1(C2(Nc3nnc(CCl)o3)CC2)CC1.
What is the InChIKey of 5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GLLPOQNEFVLGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-9(2-3-9)10(4-5-10)12-8-14-13-7(6-11)15-8/h2-6H2,1H3,(H,12,14).
What are the key properties of 5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 227.69 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 131000627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).