3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine

C13H17N3O — CID 103519965

IUPAC3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCC(C)(C)c2ccccc2)n1
InChIInChI=1S/C13H17N3O/c1-10-15-12(17-16-10)14-9-13(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,14,15,16)
InChIKeyRMXCOSDRCGYUCA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.77
Rot. Bonds4

About 3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine

3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 103519965) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine
PubChem CID103519965
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCC(C)(C)c2ccccc2)n1
InChIInChI=1S/C13H17N3O/c1-10-15-12(17-16-10)14-9-13(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,14,15,16)
InChIKeyRMXCOSDRCGYUCA-UHFFFAOYSA-N
XLogP2.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 75358121
N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-oxadiazol-5-yl)propane-1,3-diamine
CID 106659530
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777303
N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659816
N-(2-methyl-2-phenylpropyl)quinolin-2-amine
CID 63541485
N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924870
4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine
CID 114156465
3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 115777298
N-(2-methyl-2-phenylpropyl)pyridin-2-amine
CID 60970281
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974
N-(2-methylpropyl)-3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-amine
CID 63084528

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine (CID 103519965) is 3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine is Cc1noc(NCC(C)(C)c2ccccc2)n1.
What is the InChIKey of 3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is RMXCOSDRCGYUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-15-12(17-16-10)14-9-13(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,14,15,16).
What are the key properties of 3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine?
3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 231.30 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 3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 103519965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).