N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine

C16H25N3O2 — CID 167836276

IUPACN-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)CCC1NC[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1
InChIInChI=1S/C16H25N3O2/c1-16(2)7-5-12(16)17-9-11-6-8-20-13(11)15-18-14(19-21-15)10-3-4-10/h10-13,17H,3-9H2,1-2H3/t11-,12?,13-/m0/s1
InChIKeyWDYQBFBUCYCXLE-RXTYADHFSA-N
MW291.40 g/mol
LogP2.80
Rot. Bonds5

About N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine

N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 167836276) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID167836276
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)CCC1NC[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1
InChIInChI=1S/C16H25N3O2/c1-16(2)7-5-12(16)17-9-11-6-8-20-13(11)15-18-14(19-21-15)10-3-4-10/h10-13,17H,3-9H2,1-2H3/t11-,12?,13-/m0/s1
InChIKeyWDYQBFBUCYCXLE-RXTYADHFSA-N
XLogP2.80
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine (CID 167836276) is N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine is CC1(C)CCC1NC[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1.
What is the InChIKey of N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is WDYQBFBUCYCXLE-RXTYADHFSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2)7-5-12(16)17-9-11-6-8-20-13(11)15-18-14(19-21-15)10-3-4-10/h10-13,17H,3-9H2,1-2H3/t11-,12?,13-/m0/s1.
What are the key properties of N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 167836276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).