trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine

C20H35N3O2 — CID 56774222

IUPACtrans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine
SMILESCC(C)(C)CN[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C
InChIInChI=1S/C20H35N3O2/c1-19(2,3)14-21-18-11-15(20(18,4)5)10-16-12-17(25-22-16)13-23-6-8-24-9-7-23/h12,15,18,21H,6-11,13-14H2,1-5H3/t15-,18+/m1/s1
InChIKeyLHMKFFHKJXMFRO-QAPCUYQASA-N
MW349.52 g/mol
LogP3.10
Rot. Bonds6

About trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine

trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine (PubChem CID 56774222) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine
PubChem CID56774222
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Nametrans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine
SMILESCC(C)(C)CN[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C
InChIInChI=1S/C20H35N3O2/c1-19(2,3)14-21-18-11-15(20(18,4)5)10-16-12-17(25-22-16)13-23-6-8-24-9-7-23/h12,15,18,21H,6-11,13-14H2,1-5H3/t15-,18+/m1/s1
InChIKeyLHMKFFHKJXMFRO-QAPCUYQASA-N
XLogP3.10
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine?
The IUPAC name of trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine (CID 56774222) is trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine is CC(C)(C)CN[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C.
What is the InChIKey of trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine?
The InChIKey is LHMKFFHKJXMFRO-QAPCUYQASA-N. The full InChI is InChI=1S/C20H35N3O2/c1-19(2,3)14-21-18-11-15(20(18,4)5)10-16-12-17(25-22-16)13-23-6-8-24-9-7-23/h12,15,18,21H,6-11,13-14H2,1-5H3/t15-,18+/m1/s1.
What are the key properties of trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine?
trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine has a molecular weight of 349.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-(2,2-dimethylpropyl)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 56774222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).