4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide

C12H21N5O2 — CID 39732204

IUPAC4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNCC1CCCCC1
InChIInChI=1S/C12H21N5O2/c13-11-10(16-19-17-11)12(18)15-7-6-14-8-9-4-2-1-3-5-9/h9,14H,1-8H2,(H2,13,17)(H,15,18)
InChIKeyZIMKRHWYEGVFLU-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.55
Rot. Bonds6

About 4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 39732204) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID39732204
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNCC1CCCCC1
InChIInChI=1S/C12H21N5O2/c13-11-10(16-19-17-11)12(18)15-7-6-14-8-9-4-2-1-3-5-9/h9,14H,1-8H2,(H2,13,17)(H,15,18)
InChIKeyZIMKRHWYEGVFLU-UHFFFAOYSA-N
XLogP0.55
TPSA106.07 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 ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 114148196
4-amino-N-(cyclohexylmethyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 55090465
4-amino-N-(2-benzamidoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 4316930
4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688546
4-amino-N-[2-[(4-fluorophenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 2304316
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide
CID 94548891
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688692
4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide
CID 62685822
4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
CID 2969950
4-amino-N-[2-[[4-(dimethylamino)phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide chloride
CID 21233363
4-amino-N-(dicyclopropylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687641
4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106134755

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 39732204) is 4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCNCC1CCCCC1.
What is the InChIKey of 4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZIMKRHWYEGVFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c13-11-10(16-19-17-11)12(18)15-7-6-14-8-9-4-2-1-3-5-9/h9,14H,1-8H2,(H2,13,17)(H,15,18).
What are the key properties of 4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 39732204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).