2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C19H24N2O2 — CID 70294120

IUPAC2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCc1cc(C(C)(C)C)ccc1CCC1Cn2ccc(=O)nc2O1
InChIInChI=1S/C19H24N2O2/c1-13-11-15(19(2,3)4)7-5-14(13)6-8-16-12-21-10-9-17(22)20-18(21)23-16/h5,7,9-11,16H,6,8,12H2,1-4H3
InChIKeyVXLFLUKNYLXVDL-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.24
Rot. Bonds3

About 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 70294120) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID70294120
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCc1cc(C(C)(C)C)ccc1CCC1Cn2ccc(=O)nc2O1
InChIInChI=1S/C19H24N2O2/c1-13-11-15(19(2,3)4)7-5-14(13)6-8-16-12-21-10-9-17(22)20-18(21)23-16/h5,7,9-11,16H,6,8,12H2,1-4H3
InChIKeyVXLFLUKNYLXVDL-UHFFFAOYSA-N
XLogP3.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 70294120) is 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is Cc1cc(C(C)(C)C)ccc1CCC1Cn2ccc(=O)nc2O1.
What is the InChIKey of 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is VXLFLUKNYLXVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-11-15(19(2,3)4)7-5-14(13)6-8-16-12-21-10-9-17(22)20-18(21)23-16/h5,7,9-11,16H,6,8,12H2,1-4H3.
What are the key properties of 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 312.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 70294120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).