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

C27H29N5O3 — CID 53115765

IUPACN-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
SMILESCOc1cccc(CNC(=O)CCc2nc(N3CCCCC3)c3c(-c4ccccc4)noc3n2)c1
InChIInChI=1S/C27H29N5O3/c1-34-21-12-8-9-19(17-21)18-28-23(33)14-13-22-29-26(32-15-6-3-7-16-32)24-25(31-35-27(24)30-22)20-10-4-2-5-11-20/h2,4-5,8-12,17H,3,6-7,13-16,18H2,1H3,(H,28,33)
InChIKeyWBZRGVKYBKMIJQ-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.53
Rot. Bonds8

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

N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide (PubChem CID 53115765) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
PubChem CID53115765
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
SMILESCOc1cccc(CNC(=O)CCc2nc(N3CCCCC3)c3c(-c4ccccc4)noc3n2)c1
InChIInChI=1S/C27H29N5O3/c1-34-21-12-8-9-19(17-21)18-28-23(33)14-13-22-29-26(32-15-6-3-7-16-32)24-25(31-35-27(24)30-22)20-10-4-2-5-11-20/h2,4-5,8-12,17H,3,6-7,13-16,18H2,1H3,(H,28,33)
InChIKeyWBZRGVKYBKMIJQ-UHFFFAOYSA-N
XLogP4.53
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.53
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-(3-phenylpropyl)propanamide
CID 53115751
3-[3-(4-fluorophenyl)-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53011057
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)-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115750
N-[(2,4-dimethoxyphenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115864
(3,5-dimethoxyphenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 42874921
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-butoxyphenyl)methyl]propanamide
CID 53116037
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-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 53116120
1-[4-[6-benzyl-3-(3-phenoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 42874951

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide (CID 53115765) is N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide is COc1cccc(CNC(=O)CCc2nc(N3CCCCC3)c3c(-c4ccccc4)noc3n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
The InChIKey is WBZRGVKYBKMIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-34-21-12-8-9-19(17-21)18-28-23(33)14-13-22-29-26(32-15-6-3-7-16-32)24-25(31-35-27(24)30-22)20-10-4-2-5-11-20/h2,4-5,8-12,17H,3,6-7,13-16,18H2,1H3,(H,28,33).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide?
N-[(3-methoxyphenyl)methyl]-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 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 53115765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).