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

C22H26N4O2 — CID 24916091

IUPAC3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(CN3CCc4nc(C(C)(C)C)ncc4C3)no2)cc1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)21-23-12-16-13-26(10-9-19(16)24-21)14-17-11-20(28-25-17)15-5-7-18(27-4)8-6-15/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKeyAMEIMDQGGSPHBI-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.00
Rot. Bonds4

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

3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 24916091) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole
PubChem CID24916091
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(CN3CCc4nc(C(C)(C)C)ncc4C3)no2)cc1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)21-23-12-16-13-26(10-9-19(16)24-21)14-17-11-20(28-25-17)15-5-7-18(27-4)8-6-15/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKeyAMEIMDQGGSPHBI-UHFFFAOYSA-N
XLogP4.00
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
CID 24916094
3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole
CID 24931119
5-(4-methylphenyl)-3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24915218
2-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930080
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
CID 24916149
3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-phenyl-1,2-oxazole
CID 24916142
2-tert-butyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910169
2-tert-butyl-6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915629
2-tert-butyl-6-[(2-ethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913109
2-tert-butyl-6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913802
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928610

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole (CID 24916091) is 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2cc(CN3CCc4nc(C(C)(C)C)ncc4C3)no2)cc1.
What is the InChIKey of 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is AMEIMDQGGSPHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-22(2,3)21-23-12-16-13-26(10-9-19(16)24-21)14-17-11-20(28-25-17)15-5-7-18(27-4)8-6-15/h5-8,11-12H,9-10,13-14H2,1-4H3.
What are the key properties of 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole?
3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 378.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 24916091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).