2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H25N5O3 — CID 155884244

IUPAC2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=C(c2nnc(C3CCCOC3)o2)C(=O)N2NC(C)C(c3ccccc3)C2N1
InChIInChI=1S/C21H25N5O3/c1-12-17(20-24-23-19(29-20)15-9-6-10-28-11-15)21(27)26-18(22-12)16(13(2)25-26)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,18,22,25H,6,9-11H2,1-2H3
InChIKeyNFOAAROFQOHILT-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.14
Rot. Bonds3

About 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155884244) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155884244
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=C(c2nnc(C3CCCOC3)o2)C(=O)N2NC(C)C(c3ccccc3)C2N1
InChIInChI=1S/C21H25N5O3/c1-12-17(20-24-23-19(29-20)15-9-6-10-28-11-15)21(27)26-18(22-12)16(13(2)25-26)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,18,22,25H,6,9-11H2,1-2H3
InChIKeyNFOAAROFQOHILT-UHFFFAOYSA-N
XLogP2.14
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

5-methyl-6-[5-[(3R)-oxan-3-yl]-1,3,4-oxadiazol-2-yl]-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884240
5-methyl-6-[5-(1-methylsulfonylpiperidin-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884254
6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155883997
6-[5-(1-acetylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884269
6-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884224
5-methyl-6-[5-(6-oxo-1H-pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884298
6-(4-methoxy-1,3-benzoxazol-2-yl)-5-methyl-2-(oxan-4-yloxy)-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884034
2-methoxy-6-(4-methoxy-1,3-benzoxazol-2-yl)-5-methyl-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884019
3-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382181
2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole
CID 167756386
2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 154807280
2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 154757653

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155884244) is 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC1=C(c2nnc(C3CCCOC3)o2)C(=O)N2NC(C)C(c3ccccc3)C2N1.
What is the InChIKey of 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NFOAAROFQOHILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-12-17(20-24-23-19(29-20)15-9-6-10-28-11-15)21(27)26-18(22-12)16(13(2)25-26)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,18,22,25H,6,9-11H2,1-2H3.
What are the key properties of 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 395.46 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155884244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).