cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine

C15H25N3O2 — CID 99716030

IUPACcis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine
SMILESC[C@H]1CCCC[C@H]1NCc1noc(C2CCOCC2)n1
InChIInChI=1S/C15H25N3O2/c1-11-4-2-3-5-13(11)16-10-14-17-15(20-18-14)12-6-8-19-9-7-12/h11-13,16H,2-10H2,1H3/t11-,13+/m0/s1
InChIKeyLLKJWTTWVDYEQH-WCQYABFASA-N
MW279.38 g/mol
LogP2.63
Rot. Bonds4

About cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine

cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine (PubChem CID 99716030) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine
PubChem CID99716030
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namecis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine
SMILESC[C@H]1CCCC[C@H]1NCc1noc(C2CCOCC2)n1
InChIInChI=1S/C15H25N3O2/c1-11-4-2-3-5-13(11)16-10-14-17-15(20-18-14)12-6-8-19-9-7-12/h11-13,16H,2-10H2,1H3/t11-,13+/m0/s1
InChIKeyLLKJWTTWVDYEQH-WCQYABFASA-N
XLogP2.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127
trans-methyl (1R,2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate
CID 99716354
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077121
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931523
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62905897
1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 84596270
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115891216
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopentan-1-amine
CID 106392392
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 75436511

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine (CID 99716030) is cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine is C[C@H]1CCCC[C@H]1NCc1noc(C2CCOCC2)n1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine?
The InChIKey is LLKJWTTWVDYEQH-WCQYABFASA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-4-2-3-5-13(11)16-10-14-17-15(20-18-14)12-6-8-19-9-7-12/h11-13,16H,2-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine?
cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 99716030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).