4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol

C15H18N6O2 — CID 72916424

IUPAC4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol
SMILESCc1nc2c(N3CCC(O)(Cn4ccnc4)CC3)ncnc2o1
InChIInChI=1S/C15H18N6O2/c1-11-19-12-13(17-9-18-14(12)23-11)21-5-2-15(22,3-6-21)8-20-7-4-16-10-20/h4,7,9-10,22H,2-3,5-6,8H2,1H3
InChIKeyUTQFZCJFERKKNU-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.15
Rot. Bonds3

About 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol

4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol (PubChem CID 72916424) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol
PubChem CID72916424
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol
SMILESCc1nc2c(N3CCC(O)(Cn4ccnc4)CC3)ncnc2o1
InChIInChI=1S/C15H18N6O2/c1-11-19-12-13(17-9-18-14(12)23-11)21-5-2-15(22,3-6-21)8-20-7-4-16-10-20/h4,7,9-10,22H,2-3,5-6,8H2,1H3
InChIKeyUTQFZCJFERKKNU-UHFFFAOYSA-N
XLogP1.15
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol 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,N-diethyl-1-(2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide
CID 46988138
8-(2-Ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70776074
2-Ethyl-8-(2-ethyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 72845185
N,2,5-trimethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl][1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 72870106
8-(2-Ethyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-isobutyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877688
2-ethyl-7-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}[1,3]oxazolo[5,4-d]pyrimidine
CID 72905571
[1-(2,5-dimethyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl](1-methyl-1H-imidazol-2-yl)methanol
CID 72931053
2-[(2,5-Dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 46995258
7-[(1S*,4S*)-2-azabicyclo[2.2.1]hept-2-yl]-2-methyl[1,3]oxazolo[5,4-d]pyrimidine
CID 50955434
2-Amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 86285719
(5R)-9-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 97125452
7-[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 97130086

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol (CID 72916424) is 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol is Cc1nc2c(N3CCC(O)(Cn4ccnc4)CC3)ncnc2o1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol?
The InChIKey is UTQFZCJFERKKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-11-19-12-13(17-9-18-14(12)23-11)21-5-2-15(22,3-6-21)8-20-7-4-16-10-20/h4,7,9-10,22H,2-3,5-6,8H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol has a molecular weight of 314.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-ol is sourced from PubChem (CID 72916424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).