N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C25H30FN5O7S — CID 54682671

About N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54682671) has the molecular formula C25H30FN5O7S and a molecular weight of 563.61 g/mol. Its IUPAC name is N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
• PubChem CID: 54682671
• Molecular Formula: C25H30FN5O7S
• Molecular Weight: 563.61 g/mol
• Exact Mass: 563.18
• IUPAC Name: N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
• SMILES: CC1(C)OCCn2c1nc(C(=O)NCc1cc(F)cc(S(=O)(=O)N3CCC4(CCNC4=O)CC3)c1)c(O)c2=O
• InChI: InChI=1S/C25H30FN5O7S/c1-24(2)22-29-18(19(32)21(34)31(22)9-10-38-24)20(33)28-14-15-11-16(26)13-17(12-15)39(36,37)30-7-4-25(5-8-30)3-6-27-23(25)35/h11-13,32H,3-10,14H2,1-2H3,(H,27,35)(H,28,33)
• InChIKey: LEGDMGGENZYSAD-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 159.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.61
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?

The IUPAC name of N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54682671) is N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

What is the SMILES notation for N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?

The canonical SMILES for N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1(C)OCCn2c1nc(C(=O)NCc1cc(F)cc(S(=O)(=O)N3CCC4(CCNC4=O)CC3)c1)c(O)c2=O.

What is the InChIKey of N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?

The InChIKey is LEGDMGGENZYSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O7S/c1-24(2)22-29-18(19(32)21(34)31(22)9-10-38-24)20(33)28-14-15-11-16(26)13-17(12-15)39(36,37)30-7-4-25(5-8-30)3-6-27-23(25)35/h11-13,32H,3-10,14H2,1-2H3,(H,27,35)(H,28,33).

What are the key properties of N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?

N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 563.61 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54682671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).