N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 97192507

IUPACN-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(N[C@H](CC(C)(C)C)c2cccnc2)o1
InChIInChI=1S/C14H20N4O/c1-10-17-18-13(19-10)16-12(8-14(2,3)4)11-6-5-7-15-9-11/h5-7,9,12H,8H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyXGPIPGVMDSXMEI-GFCCVEGCSA-N
MW260.34 g/mol
LogP3.36
Rot. Bonds4

About N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine

N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 97192507) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID97192507
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(N[C@H](CC(C)(C)C)c2cccnc2)o1
InChIInChI=1S/C14H20N4O/c1-10-17-18-13(19-10)16-12(8-14(2,3)4)11-6-5-7-15-9-11/h5-7,9,12H,8H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyXGPIPGVMDSXMEI-GFCCVEGCSA-N
XLogP3.36
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176502635
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylbutan-1-amine;dihydrochloride
CID 154912537
5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine
CID 134714092
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
3-(3,3-dimethyl-1-pyridin-3-ylbutyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 122568421
4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine
CID 46990527
4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95721377
5-(1-chloroethyl)-N-(1-pyridin-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956656
N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707471
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 97192507) is N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(N[C@H](CC(C)(C)C)c2cccnc2)o1.
What is the InChIKey of N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is XGPIPGVMDSXMEI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-17-18-13(19-10)16-12(8-14(2,3)4)11-6-5-7-15-9-11/h5-7,9,12H,8H2,1-4H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97192507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).