(5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate

C9H12N2O4 — CID 67840903

IUPAC(5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1noc(C2CCCCC2)n1
InChIInChI=1S/C9H12N2O4/c12-9(13)14-8-10-7(15-11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
InChIKeyXVXUTYLNBGCRIK-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.17
Rot. Bonds2

About (5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate

(5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate (PubChem CID 67840903) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is (5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate
PubChem CID67840903
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1noc(C2CCCCC2)n1
InChIInChI=1S/C9H12N2O4/c12-9(13)14-8-10-7(15-11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
InChIKeyXVXUTYLNBGCRIK-UHFFFAOYSA-N
XLogP2.17
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-cyclooctyl-1,2,4-oxadiazole-3-carboxylate
CID 65020758
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547
N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 70678400
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
5-cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
5-cyclopentyl-3-iodo-1,2,4-oxadiazole
CID 112572473
CID 162193867
CID 162193867
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
5-(thiepan-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 165485101
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid
CID 136555542

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate?
The IUPAC name of (5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate (CID 67840903) is (5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate.
What is the SMILES notation for (5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate?
The canonical SMILES for (5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate is O=C(O)Oc1noc(C2CCCCC2)n1.
What is the InChIKey of (5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate?
The InChIKey is XVXUTYLNBGCRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-9(13)14-8-10-7(15-11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13).
What are the key properties of (5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate?
(5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate has a molecular weight of 212.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate is sourced from PubChem (CID 67840903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).