N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C25H26FN3O5 — CID 21070031

IUPACN-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCON(Cc1ccc(F)cc1)C(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2(C)C
InChIInChI=1S/C25H26FN3O5/c1-25(2)24-27-20(22(30)29(32-3)15-17-9-11-19(26)12-10-17)21(23(31)28(24)13-14-34-25)33-16-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3
InChIKeyGPKFJWUAVACISU-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.43
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 21070031) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID21070031
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCON(Cc1ccc(F)cc1)C(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2(C)C
InChIInChI=1S/C25H26FN3O5/c1-25(2)24-27-20(22(30)29(32-3)15-17-9-11-19(26)12-10-17)21(23(31)28(24)13-14-34-25)33-16-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3
InChIKeyGPKFJWUAVACISU-UHFFFAOYSA-N
XLogP3.43
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

CID 54677475
CID 54677475
CID 135446355
CID 135446355
CID 54733276
CID 54733276
CID 71593612
CID 71593612
CID 54681916
CID 54681916
CID 54681965
CID 54681965
CID 54681977
CID 54681977
CID 54686288
CID 54686288
CID 54686290
CID 54686290
CID 54698261
CID 54698261
CID 54717506
CID 54717506
CID 54717530
CID 54717530

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 21070031) is N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CON(Cc1ccc(F)cc1)C(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2(C)C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is GPKFJWUAVACISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-25(2)24-27-20(22(30)29(32-3)15-17-9-11-19(26)12-10-17)21(23(31)28(24)13-14-34-25)33-16-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methoxy-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 21070031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).