N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide

C11H11N3O2 — CID 168653438

IUPACN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
SMILESCCc1nnc(-c2cccc(NC=O)c2)o1
InChIInChI=1S/C11H11N3O2/c1-2-10-13-14-11(16-10)8-4-3-5-9(6-8)12-7-15/h3-7H,2H2,1H3,(H,12,15)
InChIKeyLWDSXUCIERVWPX-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.87
Rot. Bonds4

About N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide

N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide (PubChem CID 168653438) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
PubChem CID168653438
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
SMILESCCc1nnc(-c2cccc(NC=O)c2)o1
InChIInChI=1S/C11H11N3O2/c1-2-10-13-14-11(16-10)8-4-3-5-9(6-8)12-7-15/h3-7H,2H2,1H3,(H,12,15)
InChIKeyLWDSXUCIERVWPX-UHFFFAOYSA-N
XLogP1.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]propan-2-ol
CID 168638572
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 154872250
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide
CID 168652707
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
2-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 53040373
5-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598695
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62136683
N-[3-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 3164514
2,2-dimethyl-5-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168537513
N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168654349
5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine
CID 82468792

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide?
The IUPAC name of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide (CID 168653438) is N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide.
What is the SMILES notation for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide?
The canonical SMILES for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide is CCc1nnc(-c2cccc(NC=O)c2)o1.
What is the InChIKey of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide?
The InChIKey is LWDSXUCIERVWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-10-13-14-11(16-10)8-4-3-5-9(6-8)12-7-15/h3-7H,2H2,1H3,(H,12,15).
What are the key properties of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide?
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide has a molecular weight of 217.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide is sourced from PubChem (CID 168653438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).