trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine

C20H34N2O — CID 56774184

IUPACtrans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)N[C@H]1C[C@@H](Cc2cc(CC3CCCCC3)on2)C1(C)C
InChIInChI=1S/C20H34N2O/c1-14(2)21-19-12-16(20(19,3)4)11-17-13-18(23-22-17)10-15-8-6-5-7-9-15/h13-16,19,21H,5-12H2,1-4H3/t16-,19+/m1/s1
InChIKeyHELRIWFHRGAKJO-APWZRJJASA-N
MW318.51 g/mol
LogP4.75
Rot. Bonds6

About trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine

trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine (PubChem CID 56774184) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
PubChem CID56774184
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Nametrans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)N[C@H]1C[C@@H](Cc2cc(CC3CCCCC3)on2)C1(C)C
InChIInChI=1S/C20H34N2O/c1-14(2)21-19-12-16(20(19,3)4)11-17-13-18(23-22-17)10-15-8-6-5-7-9-15/h13-16,19,21H,5-12H2,1-4H3/t16-,19+/m1/s1
InChIKeyHELRIWFHRGAKJO-APWZRJJASA-N
XLogP4.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine (CID 56774184) is trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine is CC(C)N[C@H]1C[C@@H](Cc2cc(CC3CCCCC3)on2)C1(C)C.
What is the InChIKey of trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is HELRIWFHRGAKJO-APWZRJJASA-N. The full InChI is InChI=1S/C20H34N2O/c1-14(2)21-19-12-16(20(19,3)4)11-17-13-18(23-22-17)10-15-8-6-5-7-9-15/h13-16,19,21H,5-12H2,1-4H3/t16-,19+/m1/s1.
What are the key properties of trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 318.51 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 56774184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).