trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C16H29N3O2 — CID 124731860

IUPACtrans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCO[C@H](C)c1noc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-11(20-5)15-18-14(21-19-15)10-17-13-9-7-6-8-12(13)16(2,3)4/h11-13,17H,6-10H2,1-5H3/t11-,12-,13-/m1/s1
InChIKeyJFUCAKNRRLIWAK-JHJVBQTASA-N
MW295.43 g/mol
LogP3.47
Rot. Bonds5

About trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 124731860) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID124731860
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nametrans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCO[C@H](C)c1noc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-11(20-5)15-18-14(21-19-15)10-17-13-9-7-6-8-12(13)16(2,3)4/h11-13,17H,6-10H2,1-5H3/t11-,12-,13-/m1/s1
InChIKeyJFUCAKNRRLIWAK-JHJVBQTASA-N
XLogP3.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 124731860) is trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CO[C@H](C)c1noc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)n1.
What is the InChIKey of trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is JFUCAKNRRLIWAK-JHJVBQTASA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11(20-5)15-18-14(21-19-15)10-17-13-9-7-6-8-12(13)16(2,3)4/h11-13,17H,6-10H2,1-5H3/t11-,12-,13-/m1/s1.
What are the key properties of trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 124731860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).