3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide

C22H27N5O2 — CID 53115756

IUPAC3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1nc(N2CCCCC2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C22H27N5O2/c1-2-13-23-18(28)12-11-17-24-21(27-14-7-4-8-15-27)19-20(26-29-22(19)25-17)16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3,(H,23,28)
InChIKeySXHBNKSQCFZXPX-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.73
Rot. Bonds7

About 3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide

3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide (PubChem CID 53115756) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide
PubChem CID53115756
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1nc(N2CCCCC2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C22H27N5O2/c1-2-13-23-18(28)12-11-17-24-21(27-14-7-4-8-15-27)19-20(26-29-22(19)25-17)16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3,(H,23,28)
InChIKeySXHBNKSQCFZXPX-UHFFFAOYSA-N
XLogP3.73
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-(3-phenylpropyl)propanamide
CID 53115751
N-cyclohexyl-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115773
N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115765
N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115750
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115779
3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53011057
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-butylpropanamide
CID 53116023
4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 46076920
4-(6-benzyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-butyl-1,4-diazepane-1-carboxamide
CID 46076934
3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 53116120
N-(2,6-dimethylphenyl)-4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 46076832
(3,5-dimethoxyphenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 42874921

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide?
The IUPAC name of 3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide (CID 53115756) is 3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide?
The canonical SMILES for 3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide is CCCNC(=O)CCc1nc(N2CCCCC2)c2c(-c3ccccc3)noc2n1.
What is the InChIKey of 3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide?
The InChIKey is SXHBNKSQCFZXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-2-13-23-18(28)12-11-17-24-21(27-14-7-4-8-15-27)19-20(26-29-22(19)25-17)16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3,(H,23,28).
What are the key properties of 3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide?
3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide has a molecular weight of 393.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide is sourced from PubChem (CID 53115756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).