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

C18H20FN3O5 — CID 54717530

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCON(Cc1ccc(F)cc1)C(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C18H20FN3O5/c1-18(2)17-20-13(14(23)16(25)21(17)8-9-27-18)15(24)22(26-3)10-11-4-6-12(19)7-5-11/h4-7,23H,8-10H2,1-3H3
InChIKeyNNVMTZGLKUHQIH-UHFFFAOYSA-N
MW377.37 g/mol
LogP1.56
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54717530) has the molecular formula C18H20FN3O5 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54717530
Molecular FormulaC18H20FN3O5
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCON(Cc1ccc(F)cc1)C(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C18H20FN3O5/c1-18(2)17-20-13(14(23)16(25)21(17)8-9-27-18)15(24)22(26-3)10-11-4-6-12(19)7-5-11/h4-7,23H,8-10H2,1-3H3
InChIKeyNNVMTZGLKUHQIH-UHFFFAOYSA-N
XLogP1.56
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54717530) is N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CON(Cc1ccc(F)cc1)C(=O)c1nc2n(c(=O)c1O)CCOC2(C)C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is NNVMTZGLKUHQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5/c1-18(2)17-20-13(14(23)16(25)21(17)8-9-27-18)15(24)22(26-3)10-11-4-6-12(19)7-5-11/h4-7,23H,8-10H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54717530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).