N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide

C21H31N5O2 — CID 93071163

IUPACN-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide
SMILESCc1noc2nc(CCC(=O)NC3CCCC3)nc(N3C[C@H](C)C[C@@H](C)C3)c12
InChIInChI=1S/C21H31N5O2/c1-13-10-14(2)12-26(11-13)20-19-15(3)25-28-21(19)24-17(23-20)8-9-18(27)22-16-6-4-5-7-16/h13-14,16H,4-12H2,1-3H3,(H,22,27)/t13-,14-/m1/s1
InChIKeyYNXOBQIBASPCGM-ZIAGYGMSSA-N
MW385.51 g/mol
LogP3.40
Rot. Bonds5

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

N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide (PubChem CID 93071163) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide
PubChem CID93071163
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide
SMILESCc1noc2nc(CCC(=O)NC3CCCC3)nc(N3C[C@H](C)C[C@@H](C)C3)c12
InChIInChI=1S/C21H31N5O2/c1-13-10-14(2)12-26(11-13)20-19-15(3)25-28-21(19)24-17(23-20)8-9-18(27)22-16-6-4-5-7-16/h13-14,16H,4-12H2,1-3H3,(H,22,27)/t13-,14-/m1/s1
InChIKeyYNXOBQIBASPCGM-ZIAGYGMSSA-N
XLogP3.40
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide
CID 93071175
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide
CID 53115981
3-[4-(3,5-dimethylpiperidin-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 53116056
3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 95087165
3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide
CID 95087154
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-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
CID 95087140
3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(2-ethoxyphenyl)methyl]propanamide
CID 95087188
N-cyclohexyl-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115773
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-butylpropanamide
CID 53116023
N-[(4-chlorophenyl)methyl]-3-(3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115785
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 53116019

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide (CID 93071163) is N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide is Cc1noc2nc(CCC(=O)NC3CCCC3)nc(N3C[C@H](C)C[C@@H](C)C3)c12.
What is the InChIKey of N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide?
The InChIKey is YNXOBQIBASPCGM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-13-10-14(2)12-26(11-13)20-19-15(3)25-28-21(19)24-17(23-20)8-9-18(27)22-16-6-4-5-7-16/h13-14,16H,4-12H2,1-3H3,(H,22,27)/t13-,14-/m1/s1.
What are the key properties of N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide?
N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide has a molecular weight of 385.51 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 93071163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).