N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C12H19N3O3 — CID 154563876

IUPACN-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C12H19N3O3/c1-8-11(15-18-14-8)12(17)13-9-6-4-2-3-5-7-10(9)16/h9-10,16H,2-7H2,1H3,(H,13,17)/t9-,10-/m0/s1
InChIKeySWFCWRBFUFCJMO-UWVGGRQHSA-N
MW253.30 g/mol
LogP1.19
Rot. Bonds2

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

N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 154563876) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID154563876
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C12H19N3O3/c1-8-11(15-18-14-8)12(17)13-9-6-4-2-3-5-7-10(9)16/h9-10,16H,2-7H2,1H3,(H,13,17)/t9-,10-/m0/s1
InChIKeySWFCWRBFUFCJMO-UWVGGRQHSA-N
XLogP1.19
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide
CID 94548891
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104927899
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 104956999
N-(2-hydroxycyclohexyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 62359400
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
CID 104957100
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
CID 104927715
2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
CID 106687172

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 154563876) is N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@H]1CCCCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is SWFCWRBFUFCJMO-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-11(15-18-14-8)12(17)13-9-6-4-2-3-5-7-10(9)16/h9-10,16H,2-7H2,1H3,(H,13,17)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 154563876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).