4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile

C14H17N5O2 — CID 136771094

IUPAC4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
SMILESCOC1(c2noc(-c3cn[nH]c3C#N)n2)CCCCCC1
InChIInChI=1S/C14H17N5O2/c1-20-14(6-4-2-3-5-7-14)13-17-12(21-19-13)10-9-16-18-11(10)8-15/h9H,2-7H2,1H3,(H,16,18)
InChIKeyNWOYBKOIESPLDS-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.53
Rot. Bonds3

About 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile

4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile (PubChem CID 136771094) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
PubChem CID136771094
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
SMILESCOC1(c2noc(-c3cn[nH]c3C#N)n2)CCCCCC1
InChIInChI=1S/C14H17N5O2/c1-20-14(6-4-2-3-5-7-14)13-17-12(21-19-13)10-9-16-18-11(10)8-15/h9H,2-7H2,1H3,(H,16,18)
InChIKeyNWOYBKOIESPLDS-UHFFFAOYSA-N
XLogP2.53
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136771082
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136771039
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136773857
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 116743159
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928492
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 116743167
4-chloro-3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503466
3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 126837673
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743136
5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136773854
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 116743211

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The IUPAC name of 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile (CID 136771094) is 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile is COC1(c2noc(-c3cn[nH]c3C#N)n2)CCCCCC1.
What is the InChIKey of 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
The InChIKey is NWOYBKOIESPLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-20-14(6-4-2-3-5-7-14)13-17-12(21-19-13)10-9-16-18-11(10)8-15/h9H,2-7H2,1H3,(H,16,18).
What are the key properties of 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile?
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 136771094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).