5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine

C10H12ClN3O2 — CID 106956954

IUPAC5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCC(Cc1ccco1)Nc1nnc(CCl)o1
InChIInChI=1S/C10H12ClN3O2/c1-7(5-8-3-2-4-15-8)12-10-14-13-9(6-11)16-10/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeySOZBCGSDJFHTNZ-UHFFFAOYSA-N
MW241.68 g/mol
LogP2.44
Rot. Bonds5

About 5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 106956954) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID106956954
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCC(Cc1ccco1)Nc1nnc(CCl)o1
InChIInChI=1S/C10H12ClN3O2/c1-7(5-8-3-2-4-15-8)12-10-14-13-9(6-11)16-10/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeySOZBCGSDJFHTNZ-UHFFFAOYSA-N
XLogP2.44
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106959609
5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957281
5-(ethylaminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-1,3,4-oxadiazol-2-amine
CID 106959619
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982537
5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969017
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
CID 80804226
N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine (CID 106956954) is 5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine is CC(Cc1ccco1)Nc1nnc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SOZBCGSDJFHTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-7(5-8-3-2-4-15-8)12-10-14-13-9(6-11)16-10/h2-4,7H,5-6H2,1H3,(H,12,14).
What are the key properties of 5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 241.68 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).