1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol

C20H23N5O2 — CID 72918772

IUPAC1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESCN(Cc1cc(-c2ccccc2)no1)c1cc(N2CCC(O)CC2)ncn1
InChIInChI=1S/C20H23N5O2/c1-24(13-17-11-18(23-27-17)15-5-3-2-4-6-15)19-12-20(22-14-21-19)25-9-7-16(26)8-10-25/h2-6,11-12,14,16,26H,7-10,13H2,1H3
InChIKeyQXFQRARBUMGSOX-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.73
Rot. Bonds5

About 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol

1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 72918772) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID72918772
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESCN(Cc1cc(-c2ccccc2)no1)c1cc(N2CCC(O)CC2)ncn1
InChIInChI=1S/C20H23N5O2/c1-24(13-17-11-18(23-27-17)15-5-3-2-4-6-15)19-12-20(22-14-21-19)25-9-7-16(26)8-10-25/h2-6,11-12,14,16,26H,7-10,13H2,1H3
InChIKeyQXFQRARBUMGSOX-UHFFFAOYSA-N
XLogP2.73
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 50967386
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 72921537
1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134708759
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112859436
(1R)-1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2-pyridinyl]ethanol
CID 97209953
4-[6-[benzyl(methyl)amino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858208
3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91782924
(2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol
CID 98841948
2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 102676753
5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 139023471
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582

Frequently Asked Questions

What is the IUPAC name of 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 72918772) is 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol is CN(Cc1cc(-c2ccccc2)no1)c1cc(N2CCC(O)CC2)ncn1.
What is the InChIKey of 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is QXFQRARBUMGSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24(13-17-11-18(23-27-17)15-5-3-2-4-6-15)19-12-20(22-14-21-19)25-9-7-16(26)8-10-25/h2-6,11-12,14,16,26H,7-10,13H2,1H3.
What are the key properties of 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 365.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 72918772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).