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

C27H29N5O3 — CID 53115750

IUPACN-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2nc(N3CCCCC3)c3c(-c4ccccc4)noc3n2)cc1
InChIInChI=1S/C27H29N5O3/c1-2-34-21-13-11-20(12-14-21)28-23(33)16-15-22-29-26(32-17-7-4-8-18-32)24-25(31-35-27(24)30-22)19-9-5-3-6-10-19/h3,5-6,9-14H,2,4,7-8,15-18H2,1H3,(H,28,33)
InChIKeyMWULJGYPXVGOOY-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.25
Rot. Bonds8

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

N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide (PubChem CID 53115750) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
PubChem CID53115750
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2nc(N3CCCCC3)c3c(-c4ccccc4)noc3n2)cc1
InChIInChI=1S/C27H29N5O3/c1-2-34-21-13-11-20(12-14-21)28-23(33)16-15-22-29-26(32-17-7-4-8-18-32)24-25(31-35-27(24)30-22)19-9-5-3-6-10-19/h3,5-6,9-14H,2,4,7-8,15-18H2,1H3,(H,28,33)
InChIKeyMWULJGYPXVGOOY-UHFFFAOYSA-N
XLogP5.25
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide
CID 53115756
N-cyclohexyl-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115773
3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-(3-phenylpropyl)propanamide
CID 53115751
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
N-(4-ethoxyphenyl)-4-[6-[(4-methylphenyl)methyl]-3-pyridin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 42875050
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-butoxyphenyl)methyl]propanamide
CID 53116037
(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
4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 46076903
3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 53116120
(3S)-N-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 92692376
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide
CID 53115981
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-butylpropanamide
CID 53116023

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide (CID 53115750) is N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide is CCOc1ccc(NC(=O)CCc2nc(N3CCCCC3)c3c(-c4ccccc4)noc3n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
The InChIKey is MWULJGYPXVGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-2-34-21-13-11-20(12-14-21)28-23(33)16-15-22-29-26(32-17-7-4-8-18-32)24-25(31-35-27(24)30-22)19-9-5-3-6-10-19/h3,5-6,9-14H,2,4,7-8,15-18H2,1H3,(H,28,33).
What are the key properties of N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide has a molecular weight of 471.56 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 53115750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).