1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

C12H15N5O — CID 61292346

IUPAC1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESNC1(c2nc(-c3ncccn3)no2)CCCCC1
InChIInChI=1S/C12H15N5O/c13-12(5-2-1-3-6-12)11-16-10(17-18-11)9-14-7-4-8-15-9/h4,7-8H,1-3,5-6,13H2
InChIKeySIECTDNOUNFVPW-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.64
Rot. Bonds2

About 1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 61292346) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID61292346
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESNC1(c2nc(-c3ncccn3)no2)CCCCC1
InChIInChI=1S/C12H15N5O/c13-12(5-2-1-3-6-12)11-16-10(17-18-11)9-14-7-4-8-15-9/h4,7-8H,1-3,5-6,13H2
InChIKeySIECTDNOUNFVPW-UHFFFAOYSA-N
XLogP1.64
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61289970
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 75526673
1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161112
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716804
1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 64672623
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291995
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716117
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63839712
1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119999976
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 62715874
1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289520
1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162188

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 61292346) is 1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is NC1(c2nc(-c3ncccn3)no2)CCCCC1.
What is the InChIKey of 1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is SIECTDNOUNFVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-12(5-2-1-3-6-12)11-16-10(17-18-11)9-14-7-4-8-15-9/h4,7-8H,1-3,5-6,13H2.
What are the key properties of 1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 61292346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).