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

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Related Compounds

N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 20948791
N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341161
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341168
N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 20948825
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
4-(azepan-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 53213452
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 46359387
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
4-amino-N-[(4-fluorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 45141814
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536

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).