8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine

C23H22FN5O2 — CID 118050327

IUPAC8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine
SMILESCOc1cc(N2CN=CC3=C2N(c2ccc(F)cc2)CCO3)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22FN5O2/c1-16-13-27(15-26-16)20-8-7-19(11-21(20)30-2)29-14-25-12-22-23(29)28(9-10-31-22)18-5-3-17(24)4-6-18/h3-8,11-13,15H,9-10,14H2,1-2H3
InChIKeyOHIYMBBVHCJIKF-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.88
Rot. Bonds4

About 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine

8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine (PubChem CID 118050327) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine
PubChem CID118050327
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine
SMILESCOc1cc(N2CN=CC3=C2N(c2ccc(F)cc2)CCO3)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22FN5O2/c1-16-13-27(15-26-16)20-8-7-19(11-21(20)30-2)29-14-25-12-22-23(29)28(9-10-31-22)18-5-3-17(24)4-6-18/h3-8,11-13,15H,9-10,14H2,1-2H3
InChIKeyOHIYMBBVHCJIKF-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine (CID 118050327) is 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine is COc1cc(N2CN=CC3=C2N(c2ccc(F)cc2)CCO3)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine?
The InChIKey is OHIYMBBVHCJIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-16-13-27(15-26-16)20-8-7-19(11-21(20)30-2)29-14-25-12-22-23(29)28(9-10-31-22)18-5-3-17(24)4-6-18/h3-8,11-13,15H,9-10,14H2,1-2H3.
What are the key properties of 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine?
8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine has a molecular weight of 419.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-2H-pyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 118050327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).