N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide

C18H19N5O2 — CID 20948825

IUPACN-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1noc2ncnc(N3CCCC3)c12
InChIInChI=1S/C18H19N5O2/c24-17(19-9-8-13-6-2-1-3-7-13)15-14-16(23-10-4-5-11-23)20-12-21-18(14)25-22-15/h1-3,6-7,12H,4-5,8-11H2,(H,19,24)
InChIKeyQMYSMLGACRLCJV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.19
Rot. Bonds5

About N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide

N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide (PubChem CID 20948825) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
PubChem CID20948825
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1noc2ncnc(N3CCCC3)c12
InChIInChI=1S/C18H19N5O2/c24-17(19-9-8-13-6-2-1-3-7-13)15-14-16(23-10-4-5-11-23)20-12-21-18(14)25-22-15/h1-3,6-7,12H,4-5,8-11H2,(H,19,24)
InChIKeyQMYSMLGACRLCJV-UHFFFAOYSA-N
XLogP2.19
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 53213452
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341159
N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341161
5-methyl-4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344725
ethyl 4-(4-benzylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340131
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297498
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 20929427
1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 46282638
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
2,5-dimethyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363858
(4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone
CID 20948801

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide (CID 20948825) is N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide is O=C(NCCc1ccccc1)c1noc2ncnc(N3CCCC3)c12.
What is the InChIKey of N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The InChIKey is QMYSMLGACRLCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17(19-9-8-13-6-2-1-3-7-13)15-14-16(23-10-4-5-11-23)20-12-21-18(14)25-22-15/h1-3,6-7,12H,4-5,8-11H2,(H,19,24).
What are the key properties of N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 20948825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).