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

C23H28N6O3 — CID 46341168

IUPACN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
SMILESCC1CCN(Cc2ccc(NC(=O)c3noc4ncnc(N5CCOCC5)c34)cc2)CC1
InChIInChI=1S/C23H28N6O3/c1-16-6-8-28(9-7-16)14-17-2-4-18(5-3-17)26-22(30)20-19-21(29-10-12-31-13-11-29)24-15-25-23(19)32-27-20/h2-5,15-16H,6-14H2,1H3,(H,26,30)
InChIKeyBFXXKCGSJALLFA-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.94
Rot. Bonds5

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

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide (PubChem CID 46341168) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
PubChem CID46341168
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
SMILESCC1CCN(Cc2ccc(NC(=O)c3noc4ncnc(N5CCOCC5)c34)cc2)CC1
InChIInChI=1S/C23H28N6O3/c1-16-6-8-28(9-7-16)14-17-2-4-18(5-3-17)26-22(30)20-19-21(29-10-12-31-13-11-29)24-15-25-23(19)32-27-20/h2-5,15-16H,6-14H2,1H3,(H,26,30)
InChIKeyBFXXKCGSJALLFA-UHFFFAOYSA-N
XLogP2.94
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide with MolForge

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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-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341159
ethyl 4-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947892
N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341161
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743332
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
(4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone
CID 20948801
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
ethyl 4-(4-benzylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340131
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide (CID 46341168) is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide is CC1CCN(Cc2ccc(NC(=O)c3noc4ncnc(N5CCOCC5)c34)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The InChIKey is BFXXKCGSJALLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16-6-8-28(9-7-16)14-17-2-4-18(5-3-17)26-22(30)20-19-21(29-10-12-31-13-11-29)24-15-25-23(19)32-27-20/h2-5,15-16H,6-14H2,1H3,(H,26,30).
What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 46341168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).