N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline

C17H19N3O — CID 43770525

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nnco2)cc1)C1CC2C=CC1C2
InChIInChI=1S/C17H19N3O/c1-11(16-9-12-2-3-14(16)8-12)19-15-6-4-13(5-7-15)17-20-18-10-21-17/h2-7,10-12,14,16,19H,8-9H2,1H3
InChIKeySPXAKRBSIAHTNB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43770525) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43770525
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nnco2)cc1)C1CC2C=CC1C2
InChIInChI=1S/C17H19N3O/c1-11(16-9-12-2-3-14(16)8-12)19-15-6-4-13(5-7-15)17-20-18-10-21-17/h2-7,10-12,14,16,19H,8-9H2,1H3
InChIKeySPXAKRBSIAHTNB-UHFFFAOYSA-N
XLogP3.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline
CID 43762976
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-methoxyaniline
CID 43766014
N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206403
2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid
CID 66172483
N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 115928972
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide
CID 43790318
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-ethylsulfonylaniline
CID 43782392
N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 55085987
6-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 43767741
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol
CID 64792610
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-propan-2-ylaniline
CID 43768990
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43783964

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline (CID 43770525) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline is CC(Nc1ccc(-c2nnco2)cc1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is SPXAKRBSIAHTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11(16-9-12-2-3-14(16)8-12)19-15-6-4-13(5-7-15)17-20-18-10-21-17/h2-7,10-12,14,16,19H,8-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 281.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43770525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).