3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole

C19H21N5O — CID 24917349

IUPAC3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ncc2c(n1)CCN(Cc1nc(-c3ccccc3)no1)C2
InChIInChI=1S/C19H21N5O/c1-13(2)18-20-10-15-11-24(9-8-16(15)21-18)12-17-22-19(23-25-17)14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3
InChIKeyVOULDPJCPQDNOM-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.21
Rot. Bonds4

About 3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole

3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole (PubChem CID 24917349) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
PubChem CID24917349
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ncc2c(n1)CCN(Cc1nc(-c3ccccc3)no1)C2
InChIInChI=1S/C19H21N5O/c1-13(2)18-20-10-15-11-24(9-8-16(15)21-18)12-17-22-19(23-25-17)14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3
InChIKeyVOULDPJCPQDNOM-UHFFFAOYSA-N
XLogP3.21
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917370
3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917361
6-[(2,6-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928987
6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928924
3-(4-chlorophenyl)-5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917376
6-[(2,3-dichlorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928210
6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915166
2-methyl-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947512
2-propan-2-yl-6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915964
5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 56781667
3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24912943
6-[[6-(4-chlorophenyl)-2-pyridinyl]methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915439

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole (CID 24917349) is 3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole is CC(C)c1ncc2c(n1)CCN(Cc1nc(-c3ccccc3)no1)C2.
What is the InChIKey of 3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is VOULDPJCPQDNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(2)18-20-10-15-11-24(9-8-16(15)21-18)12-17-22-19(23-25-17)14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3.
What are the key properties of 3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?
3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 24917349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).