1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one

C23H24N2O4 — CID 138039169

IUPAC1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one
SMILESCn1ccnc(Oc2ccc(-c3ccc(OCC4CCCCO4)cc3)cc2)c1=O
InChIInChI=1S/C23H24N2O4/c1-25-14-13-24-22(23(25)26)29-20-11-7-18(8-12-20)17-5-9-19(10-6-17)28-16-21-4-2-3-15-27-21/h5-14,21H,2-4,15-16H2,1H3
InChIKeyZCFQMHNHVRLBGX-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.19
Rot. Bonds6

About 1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one

1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one (PubChem CID 138039169) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one
PubChem CID138039169
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one
SMILESCn1ccnc(Oc2ccc(-c3ccc(OCC4CCCCO4)cc3)cc2)c1=O
InChIInChI=1S/C23H24N2O4/c1-25-14-13-24-22(23(25)26)29-20-11-7-18(8-12-20)17-5-9-19(10-6-17)28-16-21-4-2-3-15-27-21/h5-14,21H,2-4,15-16H2,1H3
InChIKeyZCFQMHNHVRLBGX-UHFFFAOYSA-N
XLogP4.19
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one
CID 138040986
5-[4-[4-(oxan-2-ylmethoxy)phenoxy]phenyl]-1H-pyrazole
CID 90314902
5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole
CID 95265259
[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate
CID 97185490
1-methyl-4-(oxan-2-ylmethoxy)pyrazole
CID 116793926
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
(4Z)-4-[[4-(oxan-2-ylmethoxy)phenyl]methylidene]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-one
CID 139254285
1,6-dimethyl-N-[4-(oxan-2-ylmethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 131893315
1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid
CID 155938206
(4Z)-4-[[4-(oxan-2-ylmethoxy)phenyl]methylidene]-3-(4-pyridin-2-ylphenyl)-1,2-oxazol-5-one
CID 139254286
methyl 4-[(4Z)-4-[[4-(oxan-2-ylmethoxy)phenyl]methylidene]-5-oxo-1,2-oxazol-3-yl]benzoate
CID 139254288

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one (CID 138039169) is 1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one is Cn1ccnc(Oc2ccc(-c3ccc(OCC4CCCCO4)cc3)cc2)c1=O.
What is the InChIKey of 1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one?
The InChIKey is ZCFQMHNHVRLBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-25-14-13-24-22(23(25)26)29-20-11-7-18(8-12-20)17-5-9-19(10-6-17)28-16-21-4-2-3-15-27-21/h5-14,21H,2-4,15-16H2,1H3.
What are the key properties of 1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one?
1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one has a molecular weight of 392.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one is sourced from PubChem (CID 138039169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).