7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

C18H18N4O5 — CID 74526601

IUPAC7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
SMILESO=C1NC2CC3OCOC3CC2C(=O)N1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H18N4O5/c23-17-11-6-13-14(26-9-25-13)7-12(11)19-18(24)22(17)8-15-20-16(21-27-15)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2,(H,19,24)
InChIKeyBAKKPNLFPISFJQ-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.31
Rot. Bonds3

About 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione (PubChem CID 74526601) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione.

Molecular Properties

Compound Name7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
PubChem CID74526601
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
SMILESO=C1NC2CC3OCOC3CC2C(=O)N1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H18N4O5/c23-17-11-6-13-14(26-9-25-13)7-12(11)19-18(24)22(17)8-15-20-16(21-27-15)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2,(H,19,24)
InChIKeyBAKKPNLFPISFJQ-UHFFFAOYSA-N
XLogP1.31
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione with MolForge

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Related Compounds

3-benzyl-7-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 167998915
(5S)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41411865
3-[(2-chlorophenyl)methyl]-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 75118572
3-benzyl-7-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 75974303
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole
CID 79609378
2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid
CID 64618321
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9209344
3-benzyl-7-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 75974295
(5S)-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 40875043
4-nitro-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 30556121
4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 8962629
(1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137340517

Frequently Asked Questions

What is the IUPAC name of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The IUPAC name of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione (CID 74526601) is 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione.
What is the SMILES notation for 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The canonical SMILES for 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione is O=C1NC2CC3OCOC3CC2C(=O)N1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
The InChIKey is BAKKPNLFPISFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c23-17-11-6-13-14(26-9-25-13)7-12(11)19-18(24)22(17)8-15-20-16(21-27-15)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2,(H,19,24).
What are the key properties of 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione?
7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione has a molecular weight of 370.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione is sourced from PubChem (CID 74526601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).