2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine

C19H27N7O — CID 97275239

IUPAC2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCCc1nc2c(N3CCC[C@H](c4nccn4CCN(C)C)C3)ncnc2o1
InChIInChI=1S/C19H27N7O/c1-4-15-23-16-18(21-13-22-19(16)27-15)26-8-5-6-14(12-26)17-20-7-9-25(17)11-10-24(2)3/h7,9,13-14H,4-6,8,10-12H2,1-3H3/t14-/m0/s1
InChIKeyNZWXUVISSRAVIH-AWEZNQCLSA-N
MW369.47 g/mol
LogP2.32
Rot. Bonds6

About 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine

2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 97275239) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID97275239
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCCc1nc2c(N3CCC[C@H](c4nccn4CCN(C)C)C3)ncnc2o1
InChIInChI=1S/C19H27N7O/c1-4-15-23-16-18(21-13-22-19(16)27-15)26-8-5-6-14(12-26)17-20-7-9-25(17)11-10-24(2)3/h7,9,13-14H,4-6,8,10-12H2,1-3H3/t14-/m0/s1
InChIKeyNZWXUVISSRAVIH-AWEZNQCLSA-N
XLogP2.32
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 97273146
N,N-dimethyl-2-[2-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72854865
N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97277170
2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72884806
5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 72920180
6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97207615
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
CID 72863111
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 97277772
3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 97191148
3-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 72858078

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine (CID 97275239) is 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine is CCc1nc2c(N3CCC[C@H](c4nccn4CCN(C)C)C3)ncnc2o1.
What is the InChIKey of 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is NZWXUVISSRAVIH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N7O/c1-4-15-23-16-18(21-13-22-19(16)27-15)26-8-5-6-14(12-26)17-20-7-9-25(17)11-10-24(2)3/h7,9,13-14H,4-6,8,10-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 369.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 97275239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).