N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide

C17H16FN5O3 — CID 46341159

IUPACN-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1noc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C17H16FN5O3/c18-12-3-1-11(2-4-12)9-19-16(24)14-13-15(23-5-7-25-8-6-23)20-10-21-17(13)26-22-14/h1-4,10H,5-9H2,(H,19,24)
InChIKeyRONCHJIVSWFJNL-UHFFFAOYSA-N
MW357.35 g/mol
LogP1.52
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide (PubChem CID 46341159) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
PubChem CID46341159
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1noc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C17H16FN5O3/c18-12-3-1-11(2-4-12)9-19-16(24)14-13-15(23-5-7-25-8-6-23)20-10-21-17(13)26-22-14/h1-4,10H,5-9H2,(H,19,24)
InChIKeyRONCHJIVSWFJNL-UHFFFAOYSA-N
XLogP1.52
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide 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 N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide (CID 46341159) is N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1noc2ncnc(N3CCOCC3)c12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The InChIKey is RONCHJIVSWFJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c18-12-3-1-11(2-4-12)9-19-16(24)14-13-15(23-5-7-25-8-6-23)20-10-21-17(13)26-22-14/h1-4,10H,5-9H2,(H,19,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide has a molecular weight of 357.35 g/mol, XLogP of 1.52, 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]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 46341159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).