8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione

C21H20N4O5 — CID 162759129

IUPAC8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione
SMILESCOc1ccnc2c(=O)n([C@@H](C)c3noc(-c4cccc(C(C)C)c4)n3)c(=O)oc12
InChIInChI=1S/C21H20N4O5/c1-11(2)13-6-5-7-14(10-13)19-23-18(24-30-19)12(3)25-20(26)16-17(29-21(25)27)15(28-4)8-9-22-16/h5-12H,1-4H3/t12-/m0/s1
InChIKeyIDBOLLKIPCTULZ-LBPRGKRZSA-N
MW408.41 g/mol
LogP3.14
Rot. Bonds5

About 8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione

8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione (PubChem CID 162759129) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione
PubChem CID162759129
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione
SMILESCOc1ccnc2c(=O)n([C@@H](C)c3noc(-c4cccc(C(C)C)c4)n3)c(=O)oc12
InChIInChI=1S/C21H20N4O5/c1-11(2)13-6-5-7-14(10-13)19-23-18(24-30-19)12(3)25-20(26)16-17(29-21(25)27)15(28-4)8-9-22-16/h5-12H,1-4H3/t12-/m0/s1
InChIKeyIDBOLLKIPCTULZ-LBPRGKRZSA-N
XLogP3.14
TPSA113.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
The IUPAC name of 8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione (CID 162759129) is 8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione.
What is the SMILES notation for 8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
The canonical SMILES for 8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione is COc1ccnc2c(=O)n([C@@H](C)c3noc(-c4cccc(C(C)C)c4)n3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
The InChIKey is IDBOLLKIPCTULZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-11(2)13-6-5-7-14(10-13)19-23-18(24-30-19)12(3)25-20(26)16-17(29-21(25)27)15(28-4)8-9-22-16/h5-12H,1-4H3/t12-/m0/s1.
What are the key properties of 8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione has a molecular weight of 408.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[(1S)-1-[5-(3-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrido[2,3-e][1,3]oxazine-2,4-dione is sourced from PubChem (CID 162759129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).