3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole

C18H18N4O — CID 154768841

IUPAC3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole
SMILESC=C1CC1c1nc(-c2cccc(Cn3nc(C)cc3C)c2)no1
InChIInChI=1S/C18H18N4O/c1-11-7-16(11)18-19-17(21-23-18)15-6-4-5-14(9-15)10-22-13(3)8-12(2)20-22/h4-6,8-9,16H,1,7,10H2,2-3H3
InChIKeyDTZZCAFNZDIEHW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.64
Rot. Bonds4

About 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole

3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole (PubChem CID 154768841) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole
PubChem CID154768841
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole
SMILESC=C1CC1c1nc(-c2cccc(Cn3nc(C)cc3C)c2)no1
InChIInChI=1S/C18H18N4O/c1-11-7-16(11)18-19-17(21-23-18)15-6-4-5-14(9-15)10-22-13(3)8-12(2)20-22/h4-6,8-9,16H,1,7,10H2,2-3H3
InChIKeyDTZZCAFNZDIEHW-UHFFFAOYSA-N
XLogP3.64
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120840936
3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 136562024
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120840924
[4-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine;hydrochloride
CID 120955818
5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole
CID 86905057
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120840882
(2S)-2-amino-N-[[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120840932
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679165
2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one
CID 139016958
1-(furan-3-ylmethyl)-3,5-dimethylpyrazole
CID 83183212
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 110242920
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35324427

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole (CID 154768841) is 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole is C=C1CC1c1nc(-c2cccc(Cn3nc(C)cc3C)c2)no1.
What is the InChIKey of 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole?
The InChIKey is DTZZCAFNZDIEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11-7-16(11)18-19-17(21-23-18)15-6-4-5-14(9-15)10-22-13(3)8-12(2)20-22/h4-6,8-9,16H,1,7,10H2,2-3H3.
What are the key properties of 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole?
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154768841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).