(1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine

C14H21N5O — CID 104894609

IUPAC(1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1CCCC(c2noc([C@H](N)Cc3cnc[nH]3)n2)C1
InChIInChI=1S/C14H21N5O/c1-9-3-2-4-10(5-9)13-18-14(20-19-13)12(15)6-11-7-16-8-17-11/h7-10,12H,2-6,15H2,1H3,(H,16,17)/t9?,10?,12-/m1/s1
InChIKeyDIBIGXWREBIZQR-RTYFJBAXSA-N
MW275.36 g/mol
LogP2.33
Rot. Bonds4

About (1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine

(1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104894609) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104894609
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1CCCC(c2noc([C@H](N)Cc3cnc[nH]3)n2)C1
InChIInChI=1S/C14H21N5O/c1-9-3-2-4-10(5-9)13-18-14(20-19-13)12(15)6-11-7-16-8-17-11/h7-10,12H,2-6,15H2,1H3,(H,16,17)/t9?,10?,12-/m1/s1
InChIKeyDIBIGXWREBIZQR-RTYFJBAXSA-N
XLogP2.33
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894691
1-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 80609620
(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894681
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
(1S)-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902129
(1R)-1-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894658
(1S)-2-amino-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836809
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65402444
(1S)-1-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894670
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540163
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 65402446
(1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894813

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104894609) is (1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC1CCCC(c2noc([C@H](N)Cc3cnc[nH]3)n2)C1.
What is the InChIKey of (1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is DIBIGXWREBIZQR-RTYFJBAXSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-3-2-4-10(5-9)13-18-14(20-19-13)12(15)6-11-7-16-8-17-11/h7-10,12H,2-6,15H2,1H3,(H,16,17)/t9?,10?,12-/m1/s1.
What are the key properties of (1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104894609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).