5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine

C14H10Cl2N4O2 — CID 44571238

IUPAC5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(Cl)c(OCc3cccc(Cl)c3)cn2)o1
InChIInChI=1S/C14H10Cl2N4O2/c15-9-3-1-2-8(4-9)7-21-12-6-18-11(5-10(12)16)13-19-20-14(17)22-13/h1-6H,7H2,(H2,17,20)
InChIKeySOKDIVCUQZEAMS-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.60
Rot. Bonds4

About 5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine

5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 44571238) has the molecular formula C14H10Cl2N4O2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID44571238
Molecular FormulaC14H10Cl2N4O2
Molecular Weight337.17 g/mol
Exact Mass336.02
IUPAC Name5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(Cl)c(OCc3cccc(Cl)c3)cn2)o1
InChIInChI=1S/C14H10Cl2N4O2/c15-9-3-1-2-8(4-9)7-21-12-6-18-11(5-10(12)16)13-19-20-14(17)22-13/h1-6H,7H2,(H2,17,20)
InChIKeySOKDIVCUQZEAMS-UHFFFAOYSA-N
XLogP3.60
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 44571238) is 5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cc(Cl)c(OCc3cccc(Cl)c3)cn2)o1.
What is the InChIKey of 5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SOKDIVCUQZEAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2/c15-9-3-1-2-8(4-9)7-21-12-6-18-11(5-10(12)16)13-19-20-14(17)22-13/h1-6H,7H2,(H2,17,20).
What are the key properties of 5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 337.17 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 44571238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).