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

C21H24FN5O2 — CID 53115843

IUPACN-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
SMILESCc1noc2nc(CCC(=O)NCc3ccc(F)cc3)nc(N3CCCCC3)c12
InChIInChI=1S/C21H24FN5O2/c1-14-19-20(27-11-3-2-4-12-27)24-17(25-21(19)29-26-14)9-10-18(28)23-13-15-5-7-16(22)8-6-15/h5-8H,2-4,9-13H2,1H3,(H,23,28)
InChIKeyDZSODGIMYDLKIU-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.30
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide (PubChem CID 53115843) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
PubChem CID53115843
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
SMILESCc1noc2nc(CCC(=O)NCc3ccc(F)cc3)nc(N3CCCCC3)c12
InChIInChI=1S/C21H24FN5O2/c1-14-19-20(27-11-3-2-4-12-27)24-17(25-21(19)29-26-14)9-10-18(28)23-13-15-5-7-16(22)8-6-15/h5-8H,2-4,9-13H2,1H3,(H,23,28)
InChIKeyDZSODGIMYDLKIU-UHFFFAOYSA-N
XLogP3.30
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 53116031
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-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53011057
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
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-butylpropanamide
CID 53116023
N-[(2,4-dimethoxyphenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115864
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 53116019
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide
CID 53115981
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-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 53116120
N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115765

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide (CID 53115843) is N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide is Cc1noc2nc(CCC(=O)NCc3ccc(F)cc3)nc(N3CCCCC3)c12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
The InChIKey is DZSODGIMYDLKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-14-19-20(27-11-3-2-4-12-27)24-17(25-21(19)29-26-14)9-10-18(28)23-13-15-5-7-16(22)8-6-15/h5-8H,2-4,9-13H2,1H3,(H,23,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide has a molecular weight of 397.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 53115843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).