2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole

C15H16N4O2 — CID 17462415

IUPAC2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole
SMILESc1ccc2oc(C3CCN(Cc4ncon4)CC3)nc2c1
InChIInChI=1S/C15H16N4O2/c1-2-4-13-12(3-1)17-15(21-13)11-5-7-19(8-6-11)9-14-16-10-20-18-14/h1-4,10-11H,5-9H2
InChIKeyKGGQLMOUNUJGCO-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.59
Rot. Bonds3

About 2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole

2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole (PubChem CID 17462415) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole
PubChem CID17462415
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole
SMILESc1ccc2oc(C3CCN(Cc4ncon4)CC3)nc2c1
InChIInChI=1S/C15H16N4O2/c1-2-4-13-12(3-1)17-15(21-13)11-5-7-19(8-6-11)9-14-16-10-20-18-14/h1-4,10-11H,5-9H2
InChIKeyKGGQLMOUNUJGCO-UHFFFAOYSA-N
XLogP2.59
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole
CID 25366019
4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 17409570
2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17395861
2-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
CID 55410754
3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9205096
2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
CID 95139617
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CID 162805835
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 31186982
(1S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(3-fluorophenyl)ethanol
CID 94380549
2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole
CID 56550712
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 21008002
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 17489605

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole (CID 17462415) is 2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole is c1ccc2oc(C3CCN(Cc4ncon4)CC3)nc2c1.
What is the InChIKey of 2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole?
The InChIKey is KGGQLMOUNUJGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-4-13-12(3-1)17-15(21-13)11-5-7-19(8-6-11)9-14-16-10-20-18-14/h1-4,10-11H,5-9H2.
What are the key properties of 2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole?
2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole has a molecular weight of 284.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 17462415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).