N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C19H21N3O5 — CID 54717566

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1ccc3c(c1)CCO3)c(O)c2=O
InChIInChI=1S/C19H21N3O5/c1-19(2)18-21-14(15(23)17(25)22(18)6-8-27-19)16(24)20-10-11-3-4-13-12(9-11)5-7-26-13/h3-4,9,23H,5-8,10H2,1-2H3,(H,20,24)
InChIKeyUQIYVRDOXJXSBQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.08
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54717566) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54717566
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1ccc3c(c1)CCO3)c(O)c2=O
InChIInChI=1S/C19H21N3O5/c1-19(2)18-21-14(15(23)17(25)22(18)6-8-27-19)16(24)20-10-11-3-4-13-12(9-11)5-7-26-13/h3-4,9,23H,5-8,10H2,1-2H3,(H,20,24)
InChIKeyUQIYVRDOXJXSBQ-UHFFFAOYSA-N
XLogP1.08
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54717566) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-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-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1(C)OCCn2c1nc(C(=O)NCc1ccc3c(c1)CCO3)c(O)c2=O.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is UQIYVRDOXJXSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-19(2)18-21-14(15(23)17(25)22(18)6-8-27-19)16(24)20-10-11-3-4-13-12(9-11)5-7-26-13/h3-4,9,23H,5-8,10H2,1-2H3,(H,20,24).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54717566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).