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

C17H17N5O3 — CID 20948791

IUPACN-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C17H17N5O3/c1-11-2-4-12(5-3-11)20-16(23)14-13-15(22-6-8-24-9-7-22)18-10-19-17(13)25-21-14/h2-5,10H,6-9H2,1H3,(H,20,23)
InChIKeyVFMOHDKOGGHOFC-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.02
Rot. Bonds3

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

N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide (PubChem CID 20948791) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
PubChem CID20948791
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C17H17N5O3/c1-11-2-4-12(5-3-11)20-16(23)14-13-15(22-6-8-24-9-7-22)18-10-19-17(13)25-21-14/h2-5,10H,6-9H2,1H3,(H,20,23)
InChIKeyVFMOHDKOGGHOFC-UHFFFAOYSA-N
XLogP2.02
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341168
N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341161
N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341159
N-(4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886365
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
4-(azepan-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 53213452
N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 20948825
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498
3-hydroxy-4-methoxy-N-(4-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 21088857
N-(4-methylphenyl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075452
N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 127267349
N-(4-ethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886408

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide (CID 20948791) is N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide is Cc1ccc(NC(=O)c2noc3ncnc(N4CCOCC4)c23)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The InChIKey is VFMOHDKOGGHOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-2-4-12(5-3-11)20-16(23)14-13-15(22-6-8-24-9-7-22)18-10-19-17(13)25-21-14/h2-5,10H,6-9H2,1H3,(H,20,23).
What are the key properties of N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 20948791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).