2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine

C20H24N4O3 — CID 70722168

IUPAC2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCCc1nc2c(N3CCCC(COc4cccc(OC)c4)C3)ncnc2o1
InChIInChI=1S/C20H24N4O3/c1-3-17-23-18-19(21-13-22-20(18)27-17)24-9-5-6-14(11-24)12-26-16-8-4-7-15(10-16)25-2/h4,7-8,10,13-14H,3,5-6,9,11-12H2,1-2H3
InChIKeyIBGWDLIHLMFFCT-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.48
Rot. Bonds6

About 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine

2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 70722168) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID70722168
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCCc1nc2c(N3CCCC(COc4cccc(OC)c4)C3)ncnc2o1
InChIInChI=1S/C20H24N4O3/c1-3-17-23-18-19(21-13-22-20(18)27-17)24-9-5-6-14(11-24)12-26-16-8-4-7-15(10-16)25-2/h4,7-8,10,13-14H,3,5-6,9,11-12H2,1-2H3
InChIKeyIBGWDLIHLMFFCT-UHFFFAOYSA-N
XLogP3.48
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
CID 70780919
5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97283268
5-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72922021
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
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
6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176506394
bis[[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxy]-oxophosphanium
CID 175457534
2-ethyl-7-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 97454114
[(3S)-1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxymethylphosphonic acid
CID 166527093
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
(3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide
CID 125444364

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine (CID 70722168) is 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine is CCc1nc2c(N3CCCC(COc4cccc(OC)c4)C3)ncnc2o1.
What is the InChIKey of 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is IBGWDLIHLMFFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-17-23-18-19(21-13-22-20(18)27-17)24-9-5-6-14(11-24)12-26-16-8-4-7-15(10-16)25-2/h4,7-8,10,13-14H,3,5-6,9,11-12H2,1-2H3.
What are the key properties of 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 368.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 70722168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).