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

C17H18N4O2 — CID 146139254

IUPAC5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCC(c4ncco4)CC3)n2)cc1
InChIInChI=1S/C17H18N4O2/c1-2-4-13(5-3-1)16-19-15(23-20-16)12-21-9-6-14(7-10-21)17-18-8-11-22-17/h1-5,8,11,14H,6-7,9-10,12H2
InChIKeySKLPDBSBOCCZFY-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.10
Rot. Bonds4

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

5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 146139254) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID146139254
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCC(c4ncco4)CC3)n2)cc1
InChIInChI=1S/C17H18N4O2/c1-2-4-13(5-3-1)16-19-15(23-20-16)12-21-9-6-14(7-10-21)17-18-8-11-22-17/h1-5,8,11,14H,6-7,9-10,12H2
InChIKeySKLPDBSBOCCZFY-UHFFFAOYSA-N
XLogP3.10
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
N-methyl-1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922630
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42557787
4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 146139249
5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 9047136
5-[[4-(oxolan-3-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 78896828
3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 42521587
ethyl 4-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 38114906
4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 8962629

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole (CID 146139254) is 5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(CN3CCC(c4ncco4)CC3)n2)cc1.
What is the InChIKey of 5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is SKLPDBSBOCCZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-4-13(5-3-1)16-19-15(23-20-16)12-21-9-6-14(7-10-21)17-18-8-11-22-17/h1-5,8,11,14H,6-7,9-10,12H2.
What are the key properties of 5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 310.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 146139254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).