N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide

C21H21N5O4 — CID 53107788

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
SMILESCc1nc(OCC(=O)NCCc2c(C)noc2C)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C21H21N5O4/c1-12-16(13(2)29-25-12)9-10-22-17(27)11-28-20-18-19(15-7-5-4-6-8-15)26-30-21(18)24-14(3)23-20/h4-8H,9-11H2,1-3H3,(H,22,27)
InChIKeyBUAJQDKVRTYRPU-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide (PubChem CID 53107788) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
PubChem CID53107788
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
SMILESCc1nc(OCC(=O)NCCc2c(C)noc2C)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C21H21N5O4/c1-12-16(13(2)29-25-12)9-10-22-17(27)11-28-20-18-19(15-7-5-4-6-8-15)26-30-21(18)24-14(3)23-20/h4-8H,9-11H2,1-3H3,(H,22,27)
InChIKeyBUAJQDKVRTYRPU-UHFFFAOYSA-N
XLogP2.94
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide
CID 53107859
methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate
CID 53107758
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53107866
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107791
N-(3-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107762
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
CID 53107887
N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107751
2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide
CID 46381772
N-(2-chloro-4-fluorophenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107781
2-[[3-(3,4-dimethylphenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 53108000
N-[[4-(dimethylamino)phenyl]methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107968

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide (CID 53107788) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide is Cc1nc(OCC(=O)NCCc2c(C)noc2C)c2c(-c3ccccc3)noc2n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The InChIKey is BUAJQDKVRTYRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-12-16(13(2)29-25-12)9-10-22-17(27)11-28-20-18-19(15-7-5-4-6-8-15)26-30-21(18)24-14(3)23-20/h4-8H,9-11H2,1-3H3,(H,22,27).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide has a molecular weight of 407.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide is sourced from PubChem (CID 53107788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).