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

C19H24FN3O3 — CID 166629313

IUPACN-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC3(CCCCC3)C2C1
InChIInChI=1S/C19H24FN3O3/c20-15-6-4-14(5-7-15)12-21-17(24)22-10-11-23-16(13-22)19(26-18(23)25)8-2-1-3-9-19/h4-7,16H,1-3,8-13H2,(H,21,24)
InChIKeyCZUSBFCKVCTNEP-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.87
Rot. Bonds2

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

N-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide (PubChem CID 166629313) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide
PubChem CID166629313
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC3(CCCCC3)C2C1
InChIInChI=1S/C19H24FN3O3/c20-15-6-4-14(5-7-15)12-21-17(24)22-10-11-23-16(13-22)19(26-18(23)25)8-2-1-3-9-19/h4-7,16H,1-3,8-13H2,(H,21,24)
InChIKeyCZUSBFCKVCTNEP-UHFFFAOYSA-N
XLogP2.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.87
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-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide (CID 166629313) is N-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide is O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC3(CCCCC3)C2C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide?
The InChIKey is CZUSBFCKVCTNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c20-15-6-4-14(5-7-15)12-21-17(24)22-10-11-23-16(13-22)19(26-18(23)25)8-2-1-3-9-19/h4-7,16H,1-3,8-13H2,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide?
N-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.87, 2 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-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide is sourced from PubChem (CID 166629313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).