2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C18H22N2O2 — CID 70293009

IUPAC2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCc1cc(CCC2Cn3ccc(=O)nc3O2)ccc1C(C)C
InChIInChI=1S/C18H22N2O2/c1-12(2)16-7-5-14(10-13(16)3)4-6-15-11-20-9-8-17(21)19-18(20)22-15/h5,7-10,12,15H,4,6,11H2,1-3H3
InChIKeyNNWLDXQLXMOMNK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.07
Rot. Bonds4

About 2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 70293009) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID70293009
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCc1cc(CCC2Cn3ccc(=O)nc3O2)ccc1C(C)C
InChIInChI=1S/C18H22N2O2/c1-12(2)16-7-5-14(10-13(16)3)4-6-15-11-20-9-8-17(21)19-18(20)22-15/h5,7-10,12,15H,4,6,11H2,1-3H3
InChIKeyNNWLDXQLXMOMNK-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 70293009) is 2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is Cc1cc(CCC2Cn3ccc(=O)nc3O2)ccc1C(C)C.
What is the InChIKey of 2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is NNWLDXQLXMOMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)16-7-5-14(10-13(16)3)4-6-15-11-20-9-8-17(21)19-18(20)22-15/h5,7-10,12,15H,4,6,11H2,1-3H3.
What are the key properties of 2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 298.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 70293009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).