(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine

C17H31N3O — CID 104904194

IUPAC(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1nc(C2CCC(C(C)(C)C)CC2)no1
InChIInChI=1S/C17H31N3O/c1-11(2)10-14(18)16-19-15(20-21-16)12-6-8-13(9-7-12)17(3,4)5/h11-14H,6-10,18H2,1-5H3/t12?,13?,14-/m1/s1
InChIKeyAESBMNDRJUDZPI-JXQTWKCFSA-N
MW293.45 g/mol
LogP4.44
Rot. Bonds4

About (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine

(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (PubChem CID 104904194) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
PubChem CID104904194
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1nc(C2CCC(C(C)(C)C)CC2)no1
InChIInChI=1S/C17H31N3O/c1-11(2)10-14(18)16-19-15(20-21-16)12-6-8-13(9-7-12)17(3,4)5/h11-14H,6-10,18H2,1-5H3/t12?,13?,14-/m1/s1
InChIKeyAESBMNDRJUDZPI-JXQTWKCFSA-N
XLogP4.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine with MolForge

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Related Compounds

3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65414702
3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65415677
2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65412634
(1R)-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915347
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 81077764
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
(1R)-1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904201
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine
CID 43099581
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874
1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 65415674

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (CID 104904194) is (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is CC(C)C[C@@H](N)c1nc(C2CCC(C(C)(C)C)CC2)no1.
What is the InChIKey of (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The InChIKey is AESBMNDRJUDZPI-JXQTWKCFSA-N. The full InChI is InChI=1S/C17H31N3O/c1-11(2)10-14(18)16-19-15(20-21-16)12-6-8-13(9-7-12)17(3,4)5/h11-14H,6-10,18H2,1-5H3/t12?,13?,14-/m1/s1.
What are the key properties of (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 104904194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).