trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine

C16H27N3O — CID 56774240

IUPACtrans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine
SMILESCC1(C)[C@H](Cc2cc(CN3CCCCC3)on2)C[C@@H]1N
InChIInChI=1S/C16H27N3O/c1-16(2)12(9-15(16)17)8-13-10-14(20-18-13)11-19-6-4-3-5-7-19/h10,12,15H,3-9,11,17H2,1-2H3/t12-,15+/m1/s1
InChIKeyKGJFBMATTNWBKR-DOMZBBRYSA-N
MW277.41 g/mol
LogP2.58
Rot. Bonds4

About trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine

trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine (PubChem CID 56774240) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine
PubChem CID56774240
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Nametrans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine
SMILESCC1(C)[C@H](Cc2cc(CN3CCCCC3)on2)C[C@@H]1N
InChIInChI=1S/C16H27N3O/c1-16(2)12(9-15(16)17)8-13-10-14(20-18-13)11-19-6-4-3-5-7-19/h10,12,15H,3-9,11,17H2,1-2H3/t12-,15+/m1/s1
InChIKeyKGJFBMATTNWBKR-DOMZBBRYSA-N
XLogP2.58
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine?
The IUPAC name of trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine (CID 56774240) is trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine is CC1(C)[C@H](Cc2cc(CN3CCCCC3)on2)C[C@@H]1N.
What is the InChIKey of trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine?
The InChIKey is KGJFBMATTNWBKR-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2)12(9-15(16)17)8-13-10-14(20-18-13)11-19-6-4-3-5-7-19/h10,12,15H,3-9,11,17H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine?
trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 56774240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).