4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one

C19H20N4O4 — CID 146136420

IUPAC4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C1CCC(c2noc(-c3cccc4oc(=O)[nH]c34)n2)CN1CC1CCC1
InChIInChI=1S/C19H20N4O4/c24-15-8-7-12(10-23(15)9-11-3-1-4-11)17-21-18(27-22-17)13-5-2-6-14-16(13)20-19(25)26-14/h2,5-6,11-12H,1,3-4,7-10H2,(H,20,25)
InChIKeyBMOAOSGKFQFOCD-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.68
Rot. Bonds4

About 4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one

4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 146136420) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
PubChem CID146136420
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C1CCC(c2noc(-c3cccc4oc(=O)[nH]c34)n2)CN1CC1CCC1
InChIInChI=1S/C19H20N4O4/c24-15-8-7-12(10-23(15)9-11-3-1-4-11)17-21-18(27-22-17)13-5-2-6-14-16(13)20-19(25)26-14/h2,5-6,11-12H,1,3-4,7-10H2,(H,20,25)
InChIKeyBMOAOSGKFQFOCD-UHFFFAOYSA-N
XLogP2.68
TPSA105.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one (CID 146136420) is 4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one is O=C1CCC(c2noc(-c3cccc4oc(=O)[nH]c34)n2)CN1CC1CCC1.
What is the InChIKey of 4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is BMOAOSGKFQFOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-15-8-7-12(10-23(15)9-11-3-1-4-11)17-21-18(27-22-17)13-5-2-6-14-16(13)20-19(25)26-14/h2,5-6,11-12H,1,3-4,7-10H2,(H,20,25).
What are the key properties of 4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one?
4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 368.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 146136420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).