N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide

C19H21FN4O4 — CID 54681841

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCOC21CCNCC1
InChIInChI=1S/C19H21FN4O4/c20-13-3-1-12(2-4-13)11-22-16(26)14-15(25)17(27)24-9-10-28-19(18(24)23-14)5-7-21-8-6-19/h1-4,21,25H,5-11H2,(H,22,26)
InChIKeyAOCAEOSMHUHJAF-UHFFFAOYSA-N
MW388.40 g/mol
LogP0.63
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide (PubChem CID 54681841) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide
PubChem CID54681841
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCOC21CCNCC1
InChIInChI=1S/C19H21FN4O4/c20-13-3-1-12(2-4-13)11-22-16(26)14-15(25)17(27)24-9-10-28-19(18(24)23-14)5-7-21-8-6-19/h1-4,21,25H,5-11H2,(H,22,26)
InChIKeyAOCAEOSMHUHJAF-UHFFFAOYSA-N
XLogP0.63
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide (CID 54681841) is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCOC21CCNCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide?
The InChIKey is AOCAEOSMHUHJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c20-13-3-1-12(2-4-13)11-22-16(26)14-15(25)17(27)24-9-10-28-19(18(24)23-14)5-7-21-8-6-19/h1-4,21,25H,5-11H2,(H,22,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 54681841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).