3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole

C18H23N3O2 — CID 86275941

IUPAC3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(-c2cc(OCC3CC3)c(C3CC3)cn2)n1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)17-20-16(23-21-17)14-8-15(22-10-11-4-5-11)13(9-19-14)12-6-7-12/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyQQARDXULXGUIKC-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.10
Rot. Bonds5

About 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole

3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 86275941) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID86275941
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(-c2cc(OCC3CC3)c(C3CC3)cn2)n1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)17-20-16(23-21-17)14-8-15(22-10-11-4-5-11)13(9-19-14)12-6-7-12/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyQQARDXULXGUIKC-UHFFFAOYSA-N
XLogP4.10
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 86275897
4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide
CID 129216377
1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4-hydroxy-5,5-dimethylhexan-1-one
CID 162245441
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90214915
3-[2-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopropyl-4-pyridinyl]oxy]ethyl]morpholine
CID 138673102
3-tert-butyl-5-(cyclopropylmethoxy)-1,2-oxazole
CID 139460317
5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide
CID 144638470
1-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-3-(1-hydroxycyclopentyl)propan-1-one
CID 161396789
5-tert-butyl-3-[5-cyclopropyl-4-(4-methylsulfonylphenoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 86276039
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732954
3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole
CID 152723725
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179048

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole (CID 86275941) is 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole is CC(C)(C)c1noc(-c2cc(OCC3CC3)c(C3CC3)cn2)n1.
What is the InChIKey of 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is QQARDXULXGUIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,3)17-20-16(23-21-17)14-8-15(22-10-11-4-5-11)13(9-19-14)12-6-7-12/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 313.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86275941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).