N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine

C13H21N5O — CID 154787671

IUPACN-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine
SMILESc1c(CNC2CCCCC2)nnn1CC1=NOCC1
InChIInChI=1S/C13H21N5O/c1-2-4-11(5-3-1)14-8-13-10-18(17-15-13)9-12-6-7-19-16-12/h10-11,14H,1-9H2
InChIKeyAFSKILHHQIFBED-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.48
Rot. Bonds5

About N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine

N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine (PubChem CID 154787671) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine
PubChem CID154787671
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine
SMILESc1c(CNC2CCCCC2)nnn1CC1=NOCC1
InChIInChI=1S/C13H21N5O/c1-2-4-11(5-3-1)14-8-13-10-18(17-15-13)9-12-6-7-19-16-12/h10-11,14H,1-9H2
InChIKeyAFSKILHHQIFBED-UHFFFAOYSA-N
XLogP1.48
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine (CID 154787671) is N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine is c1c(CNC2CCCCC2)nnn1CC1=NOCC1.
What is the InChIKey of N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine?
The InChIKey is AFSKILHHQIFBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-4-11(5-3-1)14-8-13-10-18(17-15-13)9-12-6-7-19-16-12/h10-11,14H,1-9H2.
What are the key properties of N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine?
N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine has a molecular weight of 263.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine is sourced from PubChem (CID 154787671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).