N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine

C12H15N3O — CID 24304

IUPACN,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCCN(CC)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H15N3O/c1-3-15(4-2)12-14-13-11(16-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyMRXYSWDEIZTLGG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.58
Rot. Bonds4

About N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine

N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 24304) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID24304
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCCN(CC)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H15N3O/c1-3-15(4-2)12-14-13-11(16-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyMRXYSWDEIZTLGG-UHFFFAOYSA-N
XLogP2.58
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522274
4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline
CID 8727097
4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine
CID 110653777
N-ethyl-N,5-diphenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390946
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
CID 71004200
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine (CID 24304) is N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine is CCN(CC)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is MRXYSWDEIZTLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-15(4-2)12-14-13-11(16-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine?
N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 217.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 24304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).