2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine

C16H21N3O — CID 79359225

IUPAC2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
SMILESCC1(C)C(NCc2nnc(-c3ccccc3)o2)C1(C)C
InChIInChI=1S/C16H21N3O/c1-15(2)14(16(15,3)4)17-10-12-18-19-13(20-12)11-8-6-5-7-9-11/h5-9,14,17H,10H2,1-4H3
InChIKeyCKLZYYARRVGGSH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.26
Rot. Bonds4

About 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine

2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine (PubChem CID 79359225) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
PubChem CID79359225
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
SMILESCC1(C)C(NCc2nnc(-c3ccccc3)o2)C1(C)C
InChIInChI=1S/C16H21N3O/c1-15(2)14(16(15,3)4)17-10-12-18-19-13(20-12)11-8-6-5-7-9-11/h5-9,14,17H,10H2,1-4H3
InChIKeyCKLZYYARRVGGSH-UHFFFAOYSA-N
XLogP3.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-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

1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine
CID 113485458
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
CID 103746773
[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]cyclohexyl]methanol
CID 104934517
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
CID 5122987
2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 115406813
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 80723518
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 94160198
2-bromo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 60683451

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine (CID 79359225) is 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine is CC1(C)C(NCc2nnc(-c3ccccc3)o2)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
The InChIKey is CKLZYYARRVGGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-15(2)14(16(15,3)4)17-10-12-18-19-13(20-12)11-8-6-5-7-9-11/h5-9,14,17H,10H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79359225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).