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

C16H22N4O2 — CID 75373747

IUPAC5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H22N4O2/c1-10-14(11(2)21-18-10)9-20-7-3-4-13(8-20)15-17-16(22-19-15)12-5-6-12/h12-13H,3-9H2,1-2H3
InChIKeyTUQQGPWWIPZGPM-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.93
Rot. Bonds4

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

5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 75373747) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID75373747
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H22N4O2/c1-10-14(11(2)21-18-10)9-20-7-3-4-13(8-20)15-17-16(22-19-15)12-5-6-12/h12-13H,3-9H2,1-2H3
InChIKeyTUQQGPWWIPZGPM-UHFFFAOYSA-N
XLogP2.93
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (CID 75373747) is 5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is Cc1noc(C)c1CN1CCCC(c2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is TUQQGPWWIPZGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-14(11(2)21-18-10)9-20-7-3-4-13(8-20)15-17-16(22-19-15)12-5-6-12/h12-13H,3-9H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 302.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75373747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).