3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C20H24ClN5O — CID 92730251

IUPAC3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESC[C@@H]1CCCN(CCCNc2ncnc3onc(-c4cccc(Cl)c4)c23)C1
InChIInChI=1S/C20H24ClN5O/c1-14-5-3-9-26(12-14)10-4-8-22-19-17-18(15-6-2-7-16(21)11-15)25-27-20(17)24-13-23-19/h2,6-7,11,13-14H,3-5,8-10,12H2,1H3,(H,22,23,24)/t14-/m1/s1
InChIKeyRSHLULLSVAOZIS-CQSZACIVSA-N
MW385.90 g/mol
LogP4.47
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 92730251) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID92730251
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESC[C@@H]1CCCN(CCCNc2ncnc3onc(-c4cccc(Cl)c4)c23)C1
InChIInChI=1S/C20H24ClN5O/c1-14-5-3-9-26(12-14)10-4-8-22-19-17-18(15-6-2-7-16(21)11-15)25-27-20(17)24-13-23-19/h2,6-7,11,13-14H,3-5,8-10,12H2,1H3,(H,22,23,24)/t14-/m1/s1
InChIKeyRSHLULLSVAOZIS-CQSZACIVSA-N
XLogP4.47
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359325
3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359537
N-[3-(3-chlorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 46359362
3-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873327
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692303
3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359364
3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922527
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine
CID 95056750
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyridin-2-amine
CID 95056749
3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359399
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 92730251) is 3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is C[C@@H]1CCCN(CCCNc2ncnc3onc(-c4cccc(Cl)c4)c23)C1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RSHLULLSVAOZIS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-14-5-3-9-26(12-14)10-4-8-22-19-17-18(15-6-2-7-16(21)11-15)25-27-20(17)24-13-23-19/h2,6-7,11,13-14H,3-5,8-10,12H2,1H3,(H,22,23,24)/t14-/m1/s1.
What are the key properties of 3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 385.90 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 92730251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).