N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide

C17H16FN3O6 — CID 123995055

IUPACN-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccn(C2OC(CO)CC2F)c(=O)n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16FN3O6/c18-11-6-10(7-22)27-16(11)21-4-3-14(20-17(21)24)19-15(23)9-1-2-12-13(5-9)26-8-25-12/h1-5,10-11,16,22H,6-8H2,(H,19,20,23,24)
InChIKeySQEXUYZRGUAISK-UHFFFAOYSA-N
MW377.33 g/mol
LogP0.84
Rot. Bonds4

About N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide

N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 123995055) has the molecular formula C17H16FN3O6 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID123995055
Molecular FormulaC17H16FN3O6
Molecular Weight377.33 g/mol
Exact Mass377.10
IUPAC NameN-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccn(C2OC(CO)CC2F)c(=O)n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16FN3O6/c18-11-6-10(7-22)27-16(11)21-4-3-14(20-17(21)24)19-15(23)9-1-2-12-13(5-9)26-8-25-12/h1-5,10-11,16,22H,6-8H2,(H,19,20,23,24)
InChIKeySQEXUYZRGUAISK-UHFFFAOYSA-N
XLogP0.84
TPSA111.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[(2R,5S)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 135126899
1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 142053306
N-[1-[(2S,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10853795
4-fluoro-1-[(2R,3R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 57270689
N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 90428244
N-[1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 10469892
N-[1-[3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-fluoro-1,3-benzodioxole-5-carboxamide
CID 144710725
N-[1-[(1S,2S,4S,5R)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 101017194
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
[(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] benzoate
CID 59289277
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 13161410
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-7-carboxamide
CID 90436326

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide (CID 123995055) is N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccn(C2OC(CO)CC2F)c(=O)n1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SQEXUYZRGUAISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O6/c18-11-6-10(7-22)27-16(11)21-4-3-14(20-17(21)24)19-15(23)9-1-2-12-13(5-9)26-8-25-12/h1-5,10-11,16,22H,6-8H2,(H,19,20,23,24).
What are the key properties of N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 123995055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).