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

C12H14ClN3O — CID 24938815

IUPAC3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H14ClN3O/c1-8(2)14-12-15-11(16-17-12)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChIKeyHYRASFNUZPQBNT-UHFFFAOYSA-N
MW251.72 g/mol
LogP3.13
Rot. Bonds4

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

3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 24938815) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID24938815
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H14ClN3O/c1-8(2)14-12-15-11(16-17-12)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChIKeyHYRASFNUZPQBNT-UHFFFAOYSA-N
XLogP3.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 24938815) is 3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine is CC(C)Nc1nc(Cc2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is HYRASFNUZPQBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8(2)14-12-15-11(16-17-12)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 251.72 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-N-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 24938815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).