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(4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone

C19H18ClN3O2 — CID 91888918

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)N=C(c1ccccc1)NO2
InChIInChI=1S/C19H18ClN3O2/c20-16-8-6-15(7-9-16)18(24)23-12-10-19(11-13-23)21-17(22-25-19)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,22)
InChIKeyDFXLUXNPIMJCBX-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.25
Rot. Bonds2

About (4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone

(4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone (PubChem CID 91888918) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.82 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone
PubChem CID91888918
Molecular FormulaC19H18ClN3O2
Molecular Weight355.82 g/mol
Exact Mass355.11
IUPAC Name(4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)N=C(c1ccccc1)NO2
InChIInChI=1S/C19H18ClN3O2/c20-16-8-6-15(7-9-16)18(24)23-12-10-19(11-13-23)21-17(22-25-19)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,22)
InChIKeyDFXLUXNPIMJCBX-UHFFFAOYSA-N
XLogP3.25
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone (CID 91888918) is (4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCC2(CC1)N=C(c1ccccc1)NO2.
What is the InChIKey of (4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone?
The InChIKey is DFXLUXNPIMJCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-16-8-6-15(7-9-16)18(24)23-12-10-19(11-13-23)21-17(22-25-19)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,22).
What are the key properties of (4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone?
(4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone has a molecular weight of 355.82 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone is sourced from PubChem (CID 91888918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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