N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide

C12H21N5O2 — CID 4113877

IUPACN'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide
SMILESCCCC(=O)NNc1nnc(NC2CCCCC2)o1
InChIInChI=1S/C12H21N5O2/c1-2-6-10(18)14-16-12-17-15-11(19-12)13-9-7-4-3-5-8-9/h9H,2-8H2,1H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyPMNNDRVFTKSOLB-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.06
Rot. Bonds6

About N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide

N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide (PubChem CID 4113877) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide.

Molecular Properties

Compound NameN'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide
PubChem CID4113877
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide
SMILESCCCC(=O)NNc1nnc(NC2CCCCC2)o1
InChIInChI=1S/C12H21N5O2/c1-2-6-10(18)14-16-12-17-15-11(19-12)13-9-7-4-3-5-8-9/h9H,2-8H2,1H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyPMNNDRVFTKSOLB-UHFFFAOYSA-N
XLogP2.06
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide?
The IUPAC name of N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide (CID 4113877) is N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide.
What is the SMILES notation for N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide?
The canonical SMILES for N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide is CCCC(=O)NNc1nnc(NC2CCCCC2)o1.
What is the InChIKey of N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide?
The InChIKey is PMNNDRVFTKSOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-6-10(18)14-16-12-17-15-11(19-12)13-9-7-4-3-5-8-9/h9H,2-8H2,1H3,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide?
N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide has a molecular weight of 267.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide is sourced from PubChem (CID 4113877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).