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

C11H18N4O3 — CID 65119757

IUPAC4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2nonc2N)C1
InChIInChI=1S/C11H18N4O3/c1-7-3-2-4-11(17,5-7)6-13-10(16)8-9(12)15-18-14-8/h7,17H,2-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyDZBZWEYUBUIGOO-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.32
Rot. Bonds3

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

4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 65119757) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID65119757
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2nonc2N)C1
InChIInChI=1S/C11H18N4O3/c1-7-3-2-4-11(17,5-7)6-13-10(16)8-9(12)15-18-14-8/h7,17H,2-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyDZBZWEYUBUIGOO-UHFFFAOYSA-N
XLogP0.32
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 65106207
4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 65119891
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 65124016
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739
(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986
5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107257902
6-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551418
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 65119757) is 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is CC1CCCC(O)(CNC(=O)c2nonc2N)C1.
What is the InChIKey of 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DZBZWEYUBUIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-3-2-4-11(17,5-7)6-13-10(16)8-9(12)15-18-14-8/h7,17H,2-6H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.32, 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-hydroxy-3-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 65119757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).