2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine

C25H26ClN5O — CID 96564881

IUPAC2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
SMILESC[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc12)N1CCCCC1
InChIInChI=1S/C25H26ClN5O/c1-17(31-14-6-3-7-15-31)16-27-23-21-24(29-22(28-23)18-8-4-2-5-9-18)30-25(32-21)19-10-12-20(26)13-11-19/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3,(H,27,28,29)/t17-/m1/s1
InChIKeyXKMYZHFQZAFWFR-QGZVFWFLSA-N
MW447.97 g/mol
LogP5.89
Rot. Bonds6

About 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine

2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 96564881) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID96564881
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
SMILESC[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc12)N1CCCCC1
InChIInChI=1S/C25H26ClN5O/c1-17(31-14-6-3-7-15-31)16-27-23-21-24(29-22(28-23)18-8-4-2-5-9-18)30-25(32-21)19-10-12-20(26)13-11-19/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3,(H,27,28,29)/t17-/m1/s1
InChIKeyXKMYZHFQZAFWFR-QGZVFWFLSA-N
XLogP5.89
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
CID 35572888
2,5-diphenyl-N-[(2-phenylcyclopropyl)methyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
CID 139582787
(1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 124711113
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine
CID 139583079
5-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34925081
3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 102983851
2-chloro-5-fluoro-N-(2-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 79080736
N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
3,5-dichloro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899459
3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 55111712
5-(4-fluorophenyl)-7-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine
CID 73254140

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine (CID 96564881) is 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine is C[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc12)N1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is XKMYZHFQZAFWFR-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-17(31-14-6-3-7-15-31)16-27-23-21-24(29-22(28-23)18-8-4-2-5-9-18)30-25(32-21)19-10-12-20(26)13-11-19/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3,(H,27,28,29)/t17-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine?
2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 447.97 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 96564881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).