4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one

C20H24N4O4 — CID 29151106

IUPAC4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
SMILESCC(C)c1noc([C@H]2CCCN(C(=O)CN3C(=O)COc4ccccc43)C2)n1
InChIInChI=1S/C20H24N4O4/c1-13(2)19-21-20(28-22-19)14-6-5-9-23(10-14)17(25)11-24-15-7-3-4-8-16(15)27-12-18(24)26/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/t14-/m0/s1
InChIKeyDFDFKKLRAPVMKG-AWEZNQCLSA-N
MW384.44 g/mol
LogP2.32
Rot. Bonds4

About 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one

4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one (PubChem CID 29151106) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
PubChem CID29151106
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
SMILESCC(C)c1noc([C@H]2CCCN(C(=O)CN3C(=O)COc4ccccc43)C2)n1
InChIInChI=1S/C20H24N4O4/c1-13(2)19-21-20(28-22-19)14-6-5-9-23(10-14)17(25)11-24-15-7-3-4-8-16(15)27-12-18(24)26/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/t14-/m0/s1
InChIKeyDFDFKKLRAPVMKG-AWEZNQCLSA-N
XLogP2.32
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one with MolForge

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Related Compounds

4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 9233536
4-[2-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 138996519
1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione
CID 97274319
4-[2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 95313764
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 56686165
4-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 72842372
(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126423573
4-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 9224006
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 72896849
4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 20968282
5-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 90649325
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 56686215

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one (CID 29151106) is 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one is CC(C)c1noc([C@H]2CCCN(C(=O)CN3C(=O)COc4ccccc43)C2)n1.
What is the InChIKey of 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one?
The InChIKey is DFDFKKLRAPVMKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13(2)19-21-20(28-22-19)14-6-5-9-23(10-14)17(25)11-24-15-7-3-4-8-16(15)27-12-18(24)26/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one?
4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one has a molecular weight of 384.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 29151106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).