N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide

C23H22FN5O2S — CID 20873434

IUPACN-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1ncnc2onc(-c3ccc(F)cc3)c12)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C23H22FN5O2S/c24-16-9-7-15(8-10-16)21-20-22(26-14-27-23(20)31-28-21)25-12-19(30)29(17-4-1-2-5-17)13-18-6-3-11-32-18/h3,6-11,14,17H,1-2,4-5,12-13H2,(H,25,26,27)
InChIKeySXYPJSLWWDJWFV-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.87
Rot. Bonds7

About N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide

N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 20873434) has the molecular formula C23H22FN5O2S and a molecular weight of 451.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID20873434
Molecular FormulaC23H22FN5O2S
Molecular Weight451.53 g/mol
Exact Mass451.15
IUPAC NameN-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1ncnc2onc(-c3ccc(F)cc3)c12)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C23H22FN5O2S/c24-16-9-7-15(8-10-16)21-20-22(26-14-27-23(20)31-28-21)25-12-19(30)29(17-4-1-2-5-17)13-18-6-3-11-32-18/h3,6-11,14,17H,1-2,4-5,12-13H2,(H,25,26,27)
InChIKeySXYPJSLWWDJWFV-UHFFFAOYSA-N
XLogP4.87
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 20873434) is N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CNc1ncnc2onc(-c3ccc(F)cc3)c12)N(Cc1cccs1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SXYPJSLWWDJWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2S/c24-16-9-7-15(8-10-16)21-20-22(26-14-27-23(20)31-28-21)25-12-19(30)29(17-4-1-2-5-17)13-18-6-3-11-32-18/h3,6-11,14,17H,1-2,4-5,12-13H2,(H,25,26,27).
What are the key properties of N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 451.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 20873434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).