4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine

C23H25ClN6O — CID 70831717

IUPAC4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1nccc(-c2c(-c3ccccc3Cl)nc3occn23)n1)C1CCN(C)CC1
InChIInChI=1S/C23H25ClN6O/c1-15(16-8-11-29(2)12-9-16)26-22-25-10-7-19(27-22)21-20(17-5-3-4-6-18(17)24)28-23-30(21)13-14-31-23/h3-7,10,13-16H,8-9,11-12H2,1-2H3,(H,25,26,27)/t15-/m0/s1
InChIKeyJWEJZBLVUDBNIT-HNNXBMFYSA-N
MW436.95 g/mol
LogP4.85
Rot. Bonds5

About 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine

4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 70831717) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine
PubChem CID70831717
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1nccc(-c2c(-c3ccccc3Cl)nc3occn23)n1)C1CCN(C)CC1
InChIInChI=1S/C23H25ClN6O/c1-15(16-8-11-29(2)12-9-16)26-22-25-10-7-19(27-22)21-20(17-5-3-4-6-18(17)24)28-23-30(21)13-14-31-23/h3-7,10,13-16H,8-9,11-12H2,1-2H3,(H,25,26,27)/t15-/m0/s1
InChIKeyJWEJZBLVUDBNIT-HNNXBMFYSA-N
XLogP4.85
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine (CID 70831717) is 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine is C[C@H](Nc1nccc(-c2c(-c3ccccc3Cl)nc3occn23)n1)C1CCN(C)CC1.
What is the InChIKey of 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is JWEJZBLVUDBNIT-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-15(16-8-11-29(2)12-9-16)26-22-25-10-7-19(27-22)21-20(17-5-3-4-6-18(17)24)28-23-30(21)13-14-31-23/h3-7,10,13-16H,8-9,11-12H2,1-2H3,(H,25,26,27)/t15-/m0/s1.
What are the key properties of 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine?
4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 436.95 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 70831717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).