N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

C15H20N4O — CID 63347579

IUPACN-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCCNC1CCC(c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C15H20N4O/c1-2-17-13-5-3-12(4-6-13)15-18-14(19-20-15)11-7-9-16-10-8-11/h7-10,12-13,17H,2-6H2,1H3
InChIKeySPQDRTZMDSCSDX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.77
Rot. Bonds4

About N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 63347579) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID63347579
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCCNC1CCC(c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C15H20N4O/c1-2-17-13-5-3-12(4-6-13)15-18-14(19-20-15)11-7-9-16-10-8-11/h7-10,12-13,17H,2-6H2,1H3
InChIKeySPQDRTZMDSCSDX-UHFFFAOYSA-N
XLogP2.77
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5008897
[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol
CID 143066864
5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 71778820
4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 65197707
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849680
5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 128791883
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylpyridin-2-amine
CID 166269875
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 116809369
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 63347579) is N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is CCNC1CCC(c2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is SPQDRTZMDSCSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-17-13-5-3-12(4-6-13)15-18-14(19-20-15)11-7-9-16-10-8-11/h7-10,12-13,17H,2-6H2,1H3.
What are the key properties of N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 63347579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).