N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine

C11H13N3O — CID 648303

IUPACN-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C11H13N3O/c1-3-12-11-14-13-10(15-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyQNXOADAYVVVJPE-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.48
Rot. Bonds3

About N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine

N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 648303) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID648303
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C11H13N3O/c1-3-12-11-14-13-10(15-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyQNXOADAYVVVJPE-UHFFFAOYSA-N
XLogP2.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 1547963
N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 199264
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 7244114
2-(4-fluorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597312
5-(4-fluorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
CID 1516852
N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4149294
5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 2737915
N-methyl-5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-amine
CID 70701467
1,3,4-Oxadiazole, 2-amino-5-(o-tolyl)-
CID 15637
2-Propenamide, 2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-
CID 5469110

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 648303) is N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine is CCNc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QNXOADAYVVVJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-12-11-14-13-10(15-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine?
N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 203.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 648303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).