5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one

C19H26N2O3 — CID 142187181

IUPAC5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one
SMILESCOc1ccc(C2CNC(=O)NC2)cc1OC1CC2CC[C@H](C2)C1
InChIInChI=1S/C19H26N2O3/c1-23-17-5-4-14(15-10-20-19(22)21-11-15)9-18(17)24-16-7-12-2-3-13(6-12)8-16/h4-5,9,12-13,15-16H,2-3,6-8,10-11H2,1H3,(H2,20,21,22)/t12-,13?,16?/m1/s1
InChIKeyWZCBOMZZVASCED-VEAWUBTESA-N
MW330.43 g/mol
LogP3.05
Rot. Bonds4

About 5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one

5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one (PubChem CID 142187181) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one
PubChem CID142187181
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one
SMILESCOc1ccc(C2CNC(=O)NC2)cc1OC1CC2CC[C@H](C2)C1
InChIInChI=1S/C19H26N2O3/c1-23-17-5-4-14(15-10-20-19(22)21-11-15)9-18(17)24-16-7-12-2-3-13(6-12)8-16/h4-5,9,12-13,15-16H,2-3,6-8,10-11H2,1H3,(H2,20,21,22)/t12-,13?,16?/m1/s1
InChIKeyWZCBOMZZVASCED-VEAWUBTESA-N
XLogP3.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one?
The IUPAC name of 5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one (CID 142187181) is 5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one?
The canonical SMILES for 5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one is COc1ccc(C2CNC(=O)NC2)cc1OC1CC2CC[C@H](C2)C1.
What is the InChIKey of 5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one?
The InChIKey is WZCBOMZZVASCED-VEAWUBTESA-N. The full InChI is InChI=1S/C19H26N2O3/c1-23-17-5-4-14(15-10-20-19(22)21-11-15)9-18(17)24-16-7-12-2-3-13(6-12)8-16/h4-5,9,12-13,15-16H,2-3,6-8,10-11H2,1H3,(H2,20,21,22)/t12-,13?,16?/m1/s1.
What are the key properties of 5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one?
5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one has a molecular weight of 330.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 142187181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).