7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C16H18F2N2O4 — CID 146039795

IUPAC7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1ccc(OC(F)F)cc1)C2
InChIInChI=1S/C16H18F2N2O4/c1-2-16-9-19(7-8-20(16)15(22)23-10-16)13(21)11-3-5-12(6-4-11)24-14(17)18/h3-6,14H,2,7-10H2,1H3
InChIKeyCDLDGACNXNZMNQ-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.34
Rot. Bonds4

About 7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146039795) has the molecular formula C16H18F2N2O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is 7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146039795
Molecular FormulaC16H18F2N2O4
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Name7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1ccc(OC(F)F)cc1)C2
InChIInChI=1S/C16H18F2N2O4/c1-2-16-9-19(7-8-20(16)15(22)23-10-16)13(21)11-3-5-12(6-4-11)24-14(17)18/h3-6,14H,2,7-10H2,1H3
InChIKeyCDLDGACNXNZMNQ-UHFFFAOYSA-N
XLogP2.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8a-benzyl-7-[4-(difluoromethoxy)benzoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038722
8a-ethyl-7-[2-(1,2,4-triazol-4-yl)benzoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044891
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146041620
8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172655333
8a-ethyl-7-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 176506766
[4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79538817
[3-(1-aminoethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 115969439
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide
CID 46943736
8a-benzyl-7-(4-methoxy-3-prop-2-enylbenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044981
8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
CID 90653687

Frequently Asked Questions

What is the IUPAC name of 7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146039795) is 7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(C(=O)c1ccc(OC(F)F)cc1)C2.
What is the InChIKey of 7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is CDLDGACNXNZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4/c1-2-16-9-19(7-8-20(16)15(22)23-10-16)13(21)11-3-5-12(6-4-11)24-14(17)18/h3-6,14H,2,7-10H2,1H3.
What are the key properties of 7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 340.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146039795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).