3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide

C27H28FN5O2 — CID 53011057

IUPAC3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2nc(N3CCCCC3)c3c(-c4ccc(F)cc4)noc3n2)cc1
InChIInChI=1S/C27H28FN5O2/c1-18-5-7-19(8-6-18)17-29-23(34)14-13-22-30-26(33-15-3-2-4-16-33)24-25(32-35-27(24)31-22)20-9-11-21(28)12-10-20/h5-12H,2-4,13-17H2,1H3,(H,29,34)
InChIKeyVUCOOMOJDYTSRD-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.97
Rot. Bonds7

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

3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 53011057) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID53011057
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2nc(N3CCCCC3)c3c(-c4ccc(F)cc4)noc3n2)cc1
InChIInChI=1S/C27H28FN5O2/c1-18-5-7-19(8-6-18)17-29-23(34)14-13-22-30-26(33-15-3-2-4-16-33)24-25(32-35-27(24)31-22)20-9-11-21(28)12-10-20/h5-12H,2-4,13-17H2,1H3,(H,29,34)
InChIKeyVUCOOMOJDYTSRD-UHFFFAOYSA-N
XLogP4.97
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115843
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 53116031
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-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115765
N-[(4-chlorophenyl)methyl]-3-(3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115785
3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide
CID 53115756
3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-(3-phenylpropyl)propanamide
CID 53115751
3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 95087163
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-butoxyphenyl)methyl]propanamide
CID 53116037
N-cyclohexyl-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115773
3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 53116120
N-(4-ethoxyphenyl)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115750

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide (CID 53011057) is 3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2nc(N3CCCCC3)c3c(-c4ccc(F)cc4)noc3n2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is VUCOOMOJDYTSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-18-5-7-19(8-6-18)17-29-23(34)14-13-22-30-26(33-15-3-2-4-16-33)24-25(32-35-27(24)31-22)20-9-11-21(28)12-10-20/h5-12H,2-4,13-17H2,1H3,(H,29,34).
What are the key properties of 3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide?
3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 473.55 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 53011057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).