5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole

C17H24N4O — CID 56781673

IUPAC5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole
SMILESCCc1ncc2c(n1)CN(Cc1ncc(C(C)(C)C)o1)CC2
InChIInChI=1S/C17H24N4O/c1-5-15-18-8-12-6-7-21(10-13(12)20-15)11-16-19-9-14(22-16)17(2,3)4/h8-9H,5-7,10-11H2,1-4H3
InChIKeyFPNCBUNWULHURS-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.88
Rot. Bonds3

About 5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole

5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole (PubChem CID 56781673) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole
PubChem CID56781673
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole
SMILESCCc1ncc2c(n1)CN(Cc1ncc(C(C)(C)C)o1)CC2
InChIInChI=1S/C17H24N4O/c1-5-15-18-8-12-6-7-21(10-13(12)20-15)11-16-19-9-14(22-16)17(2,3)4/h8-9H,5-7,10-11H2,1-4H3
InChIKeyFPNCBUNWULHURS-UHFFFAOYSA-N
XLogP2.88
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole (CID 56781673) is 5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole is CCc1ncc2c(n1)CN(Cc1ncc(C(C)(C)C)o1)CC2.
What is the InChIKey of 5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole?
The InChIKey is FPNCBUNWULHURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-15-18-8-12-6-7-21(10-13(12)20-15)11-16-19-9-14(22-16)17(2,3)4/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of 5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole?
5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole has a molecular weight of 300.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56781673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).