N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C24H26FN7O6 — CID 54679990

IUPACN-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1-n1cnc(C(=O)N3CCOCC3)n1)c(O)c2=O
InChIInChI=1S/C24H26FN7O6/c1-24(2)23-28-17(18(33)21(35)31(23)7-10-38-24)20(34)26-12-14-3-4-15(25)11-16(14)32-13-27-19(29-32)22(36)30-5-8-37-9-6-30/h3-4,11,13,33H,5-10,12H2,1-2H3,(H,26,34)
InChIKeyQOIZCKSYIIKGTA-UHFFFAOYSA-N
MW527.51 g/mol
LogP0.34
Rot. Bonds5

About N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54679990) has the molecular formula C24H26FN7O6 and a molecular weight of 527.51 g/mol. Its IUPAC name is N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54679990
Molecular FormulaC24H26FN7O6
Molecular Weight527.51 g/mol
Exact Mass527.19
IUPAC NameN-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1-n1cnc(C(=O)N3CCOCC3)n1)c(O)c2=O
InChIInChI=1S/C24H26FN7O6/c1-24(2)23-28-17(18(33)21(35)31(23)7-10-38-24)20(34)26-12-14-3-4-15(25)11-16(14)32-13-27-19(29-32)22(36)30-5-8-37-9-6-30/h3-4,11,13,33H,5-10,12H2,1-2H3,(H,26,34)
InChIKeyQOIZCKSYIIKGTA-UHFFFAOYSA-N
XLogP0.34
TPSA153.70 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.51
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-tetrahydrofuran-3-yl-pyrimidine-4-carboxamide
CID 54751378
N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-tetrahydropyran-4-yl-pyrimidine-4-carboxamide
CID 54751389
N-[[4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-tetrahydropyran-4-yl-pyrimidine-4-carboxamide
CID 54751390
N-[[4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-tetrahydrofuran-3-yl-pyrimidine-4-carboxamide
CID 59389602
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-fluoro-phenyl]methyl]-3-hydroxy-4-oxo-spiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
CID 54677665
9,9-diethyl-N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679972
N-[[2-[3-(dimethylcarbamoyl)-1,2,4-triazol-1-yl]-4-fluoro-phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679975
N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679982
N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-10,10-dimethyl-4-oxo-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide
CID 54679983
N-[[4-fluoro-2-[3-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679989
N-[[4-fluoro-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679991
N-[[4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679994

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]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-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54679990) is N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]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-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]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-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]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)NCc1ccc(F)cc1-n1cnc(C(=O)N3CCOCC3)n1)c(O)c2=O.
What is the InChIKey of N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is QOIZCKSYIIKGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O6/c1-24(2)23-28-17(18(33)21(35)31(23)7-10-38-24)20(34)26-12-14-3-4-15(25)11-16(14)32-13-27-19(29-32)22(36)30-5-8-37-9-6-30/h3-4,11,13,33H,5-10,12H2,1-2H3,(H,26,34).
What are the key properties of N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]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 527.51 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-[3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]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 54679990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).