3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole

C19H28N4O2 — CID 126827706

IUPAC3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1coc(CC2CCN(Cc3noc(C4CC4)n3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)15-12-24-17(20-15)10-13-6-8-23(9-7-13)11-16-21-18(25-22-16)14-4-5-14/h12-14H,4-11H2,1-3H3
InChIKeyMVECEABEPSWYST-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.69
Rot. Bonds5

About 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole

3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole (PubChem CID 126827706) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
PubChem CID126827706
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1coc(CC2CCN(Cc3noc(C4CC4)n3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)15-12-24-17(20-15)10-13-6-8-23(9-7-13)11-16-21-18(25-22-16)14-4-5-14/h12-14H,4-11H2,1-3H3
InChIKeyMVECEABEPSWYST-UHFFFAOYSA-N
XLogP3.69
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole with MolForge

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Related Compounds

[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909690
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79606646
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63848408
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
N-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926550
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630226
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908645
5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126806999
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728887
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79992920

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole (CID 126827706) is 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole is CC(C)(C)c1coc(CC2CCN(Cc3noc(C4CC4)n3)CC2)n1.
What is the InChIKey of 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is MVECEABEPSWYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-19(2,3)15-12-24-17(20-15)10-13-6-8-23(9-7-13)11-16-21-18(25-22-16)14-4-5-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole?
3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 344.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 126827706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).