N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

C20H28FN3O3 — CID 166630968

IUPACN-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESCCCC1(CCC)OC(=O)N2CCN(C(=O)NCc3ccc(F)cc3)CC21
InChIInChI=1S/C20H28FN3O3/c1-3-9-20(10-4-2)17-14-23(11-12-24(17)19(26)27-20)18(25)22-13-15-5-7-16(21)8-6-15/h5-8,17H,3-4,9-14H2,1-2H3,(H,22,25)
InChIKeyPIASKVREBDFMSW-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.51
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (PubChem CID 166630968) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
PubChem CID166630968
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC NameN-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESCCCC1(CCC)OC(=O)N2CCN(C(=O)NCc3ccc(F)cc3)CC21
InChIInChI=1S/C20H28FN3O3/c1-3-9-20(10-4-2)17-14-23(11-12-24(17)19(26)27-20)18(25)22-13-15-5-7-16(21)8-6-15/h5-8,17H,3-4,9-14H2,1-2H3,(H,22,25)
InChIKeyPIASKVREBDFMSW-UHFFFAOYSA-N
XLogP3.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (CID 166630968) is N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is CCCC1(CCC)OC(=O)N2CCN(C(=O)NCc3ccc(F)cc3)CC21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The InChIKey is PIASKVREBDFMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-3-9-20(10-4-2)17-14-23(11-12-24(17)19(26)27-20)18(25)22-13-15-5-7-16(21)8-6-15/h5-8,17H,3-4,9-14H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-oxo-1,1-dipropyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is sourced from PubChem (CID 166630968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).