N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C18H23N5O2 — CID 71836302

IUPACN-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C18H23N5O2/c1-11-15(12(2)25-22-11)8-17(24)21-13-6-7-23(9-13)18-14-4-3-5-16(14)19-10-20-18/h10,13H,3-9H2,1-2H3,(H,21,24)
InChIKeyDYIYMIRMPAXOJX-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.51
Rot. Bonds4

About N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 71836302) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID71836302
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C18H23N5O2/c1-11-15(12(2)25-22-11)8-17(24)21-13-6-7-23(9-13)18-14-4-3-5-16(14)19-10-20-18/h10,13H,3-9H2,1-2H3,(H,21,24)
InChIKeyDYIYMIRMPAXOJX-UHFFFAOYSA-N
XLogP1.51
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 71836302) is N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NC1CCN(c2ncnc3c2CCC3)C1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is DYIYMIRMPAXOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-15(12(2)25-22-11)8-17(24)21-13-6-7-23(9-13)18-14-4-3-5-16(14)19-10-20-18/h10,13H,3-9H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 71836302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).