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

C14H17N3O — CID 113485458

IUPAC1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCC1(NCc2nnc(-c3ccccc3)o2)CCC1
InChIInChI=1S/C14H17N3O/c1-14(8-5-9-14)15-10-12-16-17-13(18-12)11-6-3-2-4-7-11/h2-4,6-7,15H,5,8-10H2,1H3
InChIKeyXUNBBEZKQMZQHO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.77
Rot. Bonds4

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

1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 113485458) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID113485458
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCC1(NCc2nnc(-c3ccccc3)o2)CCC1
InChIInChI=1S/C14H17N3O/c1-14(8-5-9-14)15-10-12-16-17-13(18-12)11-6-3-2-4-7-11/h2-4,6-7,15H,5,8-10H2,1H3
InChIKeyXUNBBEZKQMZQHO-UHFFFAOYSA-N
XLogP2.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylthiolan-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 80723518
2,2,3,3-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359225
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
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
2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 115406813
3-butoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 115571404
2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62131084
1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 62133800
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60975667
1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
CID 107914870
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine (CID 113485458) is 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine is CC1(NCc2nnc(-c3ccccc3)o2)CCC1.
What is the InChIKey of 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is XUNBBEZKQMZQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(8-5-9-14)15-10-12-16-17-13(18-12)11-6-3-2-4-7-11/h2-4,6-7,15H,5,8-10H2,1H3.
What are the key properties of 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine?
1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 113485458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).