5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine

C10H11N3O — CID 18073044

IUPAC5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCc1ccc(-c2nnc(N)o2)cc1
InChIInChI=1S/C10H11N3O/c1-2-7-3-5-8(6-4-7)9-12-13-10(11)14-9/h3-6H,2H2,1H3,(H2,11,13)
InChIKeyCBUONAHNWHSRMJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.88
Rot. Bonds2

About 5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine

5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 18073044) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID18073044
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCc1ccc(-c2nnc(N)o2)cc1
InChIInChI=1S/C10H11N3O/c1-2-7-3-5-8(6-4-7)9-12-13-10(11)14-9/h3-6H,2H2,1H3,(H2,11,13)
InChIKeyCBUONAHNWHSRMJ-UHFFFAOYSA-N
XLogP1.88
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 45496453
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044206
5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 102420099
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816
2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
CID 103436823
aminourea;5-(4-methylphenyl)-1,3,4-oxadiazol-2-amine;hydrochloride
CID 155147487
4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol
CID 137204559
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164161
4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline
CID 59228323
2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 39359301
5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 4036354

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine (CID 18073044) is 5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine is CCc1ccc(-c2nnc(N)o2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CBUONAHNWHSRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-7-3-5-8(6-4-7)9-12-13-10(11)14-9/h3-6H,2H2,1H3,(H2,11,13).
What are the key properties of 5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine?
5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 189.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 18073044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).