trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine

C14H21N5O — CID 99624823

IUPACtrans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine
SMILESCCc1nc(CN[C@H]2CCCC[C@@H]2n2cccn2)no1
InChIInChI=1S/C14H21N5O/c1-2-14-17-13(18-20-14)10-15-11-6-3-4-7-12(11)19-9-5-8-16-19/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3/t11-,12-/m0/s1
InChIKeyORMBYQIWUGFHDF-RYUDHWBXSA-N
MW275.36 g/mol
LogP2.10
Rot. Bonds5

About trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine

trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine (PubChem CID 99624823) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine
PubChem CID99624823
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Nametrans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine
SMILESCCc1nc(CN[C@H]2CCCC[C@@H]2n2cccn2)no1
InChIInChI=1S/C14H21N5O/c1-2-14-17-13(18-20-14)10-15-11-6-3-4-7-12(11)19-9-5-8-16-19/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3/t11-,12-/m0/s1
InChIKeyORMBYQIWUGFHDF-RYUDHWBXSA-N
XLogP2.10
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine (CID 99624823) is trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine is CCc1nc(CN[C@H]2CCCC[C@@H]2n2cccn2)no1.
What is the InChIKey of trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine?
The InChIKey is ORMBYQIWUGFHDF-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-14-17-13(18-20-14)10-15-11-6-3-4-7-12(11)19-9-5-8-16-19/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine?
trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine is sourced from PubChem (CID 99624823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).