N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide

C23H22FN3O4 — CID 21070030

IUPACN-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1OCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(OCc1ccccc1)c2=O
InChIInChI=1S/C23H22FN3O4/c1-15-21-26-19(22(28)25-13-16-7-9-18(24)10-8-16)20(23(29)27(21)11-12-30-15)31-14-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28)
InChIKeyGWXPCJCFDMXYGR-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.98
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 21070030) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID21070030
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC NameN-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1OCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(OCc1ccccc1)c2=O
InChIInChI=1S/C23H22FN3O4/c1-15-21-26-19(22(28)25-13-16-7-9-18(24)10-8-16)20(23(29)27(21)11-12-30-15)31-14-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28)
InChIKeyGWXPCJCFDMXYGR-UHFFFAOYSA-N
XLogP2.98
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 21070030) is N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1OCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(OCc1ccccc1)c2=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is GWXPCJCFDMXYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-15-21-26-19(22(28)25-13-16-7-9-18(24)10-8-16)20(23(29)27(21)11-12-30-15)31-14-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-9-methyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 21070030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).