5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine

C15H16ClN5O — CID 75517192

IUPAC5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCn1cc(CNc2nnc(Cc3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C15H16ClN5O/c1-2-21-10-12(9-18-21)8-17-15-20-19-14(22-15)7-11-3-5-13(16)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H,17,20)
InChIKeyPXOSCGDHLHHTFX-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.14
Rot. Bonds6

About 5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine

5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 75517192) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID75517192
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCn1cc(CNc2nnc(Cc3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C15H16ClN5O/c1-2-21-10-12(9-18-21)8-17-15-20-19-14(22-15)7-11-3-5-13(16)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H,17,20)
InChIKeyPXOSCGDHLHHTFX-UHFFFAOYSA-N
XLogP3.14
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 75517192) is 5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine is CCn1cc(CNc2nnc(Cc3ccc(Cl)cc3)o2)cn1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is PXOSCGDHLHHTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-2-21-10-12(9-18-21)8-17-15-20-19-14(22-15)7-11-3-5-13(16)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H,17,20).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 317.78 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75517192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).