6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide

C23H25N5O6 — CID 89388161

IUPAC6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc3oc(C)nc3c2)cc(C2=NO[C@@H]([C@H]3CO[C@H](CO)CO3)C2)n1
InChIInChI=1S/C23H25N5O6/c1-12-25-16(17-7-21(34-28-17)22-11-31-15(9-29)10-32-22)6-19(26-12)23(30)24-8-14-3-4-20-18(5-14)27-13(2)33-20/h3-6,15,21-22,29H,7-11H2,1-2H3,(H,24,30)/t15-,21-,22-/m1/s1
InChIKeyUXPNXXWLIKSBFI-UJUVCNOISA-N
MW467.48 g/mol
LogP1.43
Rot. Bonds6

About 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide

6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 89388161) has the molecular formula C23H25N5O6 and a molecular weight of 467.48 g/mol. Its IUPAC name is 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide
PubChem CID89388161
Molecular FormulaC23H25N5O6
Molecular Weight467.48 g/mol
Exact Mass467.18
IUPAC Name6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc3oc(C)nc3c2)cc(C2=NO[C@@H]([C@H]3CO[C@H](CO)CO3)C2)n1
InChIInChI=1S/C23H25N5O6/c1-12-25-16(17-7-21(34-28-17)22-11-31-15(9-29)10-32-22)6-19(26-12)23(30)24-8-14-3-4-20-18(5-14)27-13(2)33-20/h3-6,15,21-22,29H,7-11H2,1-2H3,(H,24,30)/t15-,21-,22-/m1/s1
InChIKeyUXPNXXWLIKSBFI-UJUVCNOISA-N
XLogP1.43
TPSA141.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-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-[(3,4-dichlorophenyl)methyl]-6-[5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
CID 89388159
N-[(4-fluoro-3-methylphenyl)methyl]-6-[(5S)-5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
CID 89184240
6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 89156818
N-[(3-fluorophenyl)methyl]-6-[5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
CID 89388165
6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide
CID 89184478
6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide
CID 89184521
6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 89156806
N-[(3,4-dimethylphenyl)methyl]-6-[5-[5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
CID 123782272
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[(5S)-5-[(2R,5S)-5-(methylsulfonylmethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
CID 89184434
N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-[(2R,5R)-5-[(2-hydroxypropanoylamino)methyl]-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
CID 89388141
[(2S,5R)-5-[(5S)-3-[2-methyl-6-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]-1,4-dioxan-2-yl]methyl 2,2,2-trifluoroacetate
CID 89388126
3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide
CID 123553284

Frequently Asked Questions

What is the IUPAC name of 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide (CID 89388161) is 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc3oc(C)nc3c2)cc(C2=NO[C@@H]([C@H]3CO[C@H](CO)CO3)C2)n1.
What is the InChIKey of 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is UXPNXXWLIKSBFI-UJUVCNOISA-N. The full InChI is InChI=1S/C23H25N5O6/c1-12-25-16(17-7-21(34-28-17)22-11-31-15(9-29)10-32-22)6-19(26-12)23(30)24-8-14-3-4-20-18(5-14)27-13(2)33-20/h3-6,15,21-22,29H,7-11H2,1-2H3,(H,24,30)/t15-,21-,22-/m1/s1.
What are the key properties of 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide?
6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 89388161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).