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

C16H20N4O2 — CID 91772314

IUPACN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NCCc2nc(C)c3c(n2)CCC3)on1
InChIInChI=1S/C16H20N4O2/c1-10-8-12(22-20-10)9-16(21)17-7-6-15-18-11(2)13-4-3-5-14(13)19-15/h8H,3-7,9H2,1-2H3,(H,17,21)
InChIKeyCTRCYRNQBVWRTQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.47
Rot. Bonds5

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

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 91772314) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID91772314
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NCCc2nc(C)c3c(n2)CCC3)on1
InChIInChI=1S/C16H20N4O2/c1-10-8-12(22-20-10)9-16(21)17-7-6-15-18-11(2)13-4-3-5-14(13)19-15/h8H,3-7,9H2,1-2H3,(H,17,21)
InChIKeyCTRCYRNQBVWRTQ-UHFFFAOYSA-N
XLogP1.47
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 91772314) is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)NCCc2nc(C)c3c(n2)CCC3)on1.
What is the InChIKey of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is CTRCYRNQBVWRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-8-12(22-20-10)9-16(21)17-7-6-15-18-11(2)13-4-3-5-14(13)19-15/h8H,3-7,9H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 91772314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).