4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide

C10H16N4O3 — CID 65106207

IUPAC4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C10H16N4O3/c11-8-7(13-17-14-8)9(15)12-6-10(16)4-2-1-3-5-10/h16H,1-6H2,(H2,11,14)(H,12,15)
InChIKeyYEIBRJMPEHKCLY-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.08
Rot. Bonds3

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

4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 65106207) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID65106207
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C10H16N4O3/c11-8-7(13-17-14-8)9(15)12-6-10(16)4-2-1-3-5-10/h16H,1-6H2,(H2,11,14)(H,12,15)
InChIKeyYEIBRJMPEHKCLY-UHFFFAOYSA-N
XLogP0.08
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 65119891
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 65119757
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 65123055
4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123246
2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580
N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619325
2-amino-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122282

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 65106207) is 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCC1(O)CCCCC1.
What is the InChIKey of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is YEIBRJMPEHKCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-8-7(13-17-14-8)9(15)12-6-10(16)4-2-1-3-5-10/h16H,1-6H2,(H2,11,14)(H,12,15).
What are the key properties of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 65106207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).