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

C9H14N4O3 — CID 94548891

IUPAC4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H14N4O3/c10-8-7(12-16-13-8)9(15)11-5-3-1-2-4-6(5)14/h5-6,14H,1-4H2,(H2,10,13)(H,11,15)/t5-,6-/m0/s1
InChIKeySYOSZYIHEMEFGI-WDSKDSINSA-N
MW226.24 g/mol
LogP-0.31
Rot. Bonds2

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

4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 94548891) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID94548891
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H14N4O3/c10-8-7(12-16-13-8)9(15)11-5-3-1-2-4-6(5)14/h5-6,14H,1-4H2,(H2,10,13)(H,11,15)/t5-,6-/m0/s1
InChIKeySYOSZYIHEMEFGI-WDSKDSINSA-N
XLogP-0.31
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 154563876
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 94600004
6-amino-3-chloro-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide
CID 62358573
3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide
CID 113394753
4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62687957
4-amino-N-(dicyclopropylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687641
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
4-amino-N-(1-ethylpiperidin-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62688370
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
3,6-dichloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104956936
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
CID 113394881

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide (CID 94548891) is 4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is SYOSZYIHEMEFGI-WDSKDSINSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-8-7(12-16-13-8)9(15)11-5-3-1-2-4-6(5)14/h5-6,14H,1-4H2,(H2,10,13)(H,11,15)/t5-,6-/m0/s1.
What are the key properties of 4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 226.24 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 94548891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).