N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide

C11H11N3O2 — CID 171796577

IUPACN-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide
SMILESCC1C=CC(NC=O)=CC(c2ncon2)=C1
InChIInChI=1S/C11H11N3O2/c1-8-2-3-10(12-6-15)5-9(4-8)11-13-7-16-14-11/h2-8H,1H3,(H,12,15)
InChIKeyACZJDZQDYGGNOW-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.29
Rot. Bonds3

About N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide

N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide (PubChem CID 171796577) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide.

Molecular Properties

Compound NameN-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide
PubChem CID171796577
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide
SMILESCC1C=CC(NC=O)=CC(c2ncon2)=C1
InChIInChI=1S/C11H11N3O2/c1-8-2-3-10(12-6-15)5-9(4-8)11-13-7-16-14-11/h2-8H,1H3,(H,12,15)
InChIKeyACZJDZQDYGGNOW-UHFFFAOYSA-N
XLogP1.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide?
The IUPAC name of N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide (CID 171796577) is N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide.
What is the SMILES notation for N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide?
The canonical SMILES for N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide is CC1C=CC(NC=O)=CC(c2ncon2)=C1.
What is the InChIKey of N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide?
The InChIKey is ACZJDZQDYGGNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-2-3-10(12-6-15)5-9(4-8)11-13-7-16-14-11/h2-8H,1H3,(H,12,15).
What are the key properties of N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide?
N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide has a molecular weight of 217.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-(1,2,4-oxadiazol-3-yl)cyclohepta-1,3,6-trien-1-yl]formamide is sourced from PubChem (CID 171796577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).