[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

C19H19F3N4O3 — CID 29097799

IUPAC[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCOc1ccccc1C1=NO[C@@H](C(=O)N2CC[C@H](C(F)(F)F)n3nc(C)cc32)C1
InChIInChI=1S/C19H19F3N4O3/c1-11-9-17-25(8-7-16(19(20,21)22)26(17)23-11)18(27)15-10-13(24-29-15)12-5-3-4-6-14(12)28-2/h3-6,9,15-16H,7-8,10H2,1-2H3/t15-,16-/m1/s1
InChIKeyFQPLKJZWCVUJMF-HZPDHXFCSA-N
MW408.38 g/mol
LogP3.23
Rot. Bonds3

About [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 29097799) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID29097799
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCOc1ccccc1C1=NO[C@@H](C(=O)N2CC[C@H](C(F)(F)F)n3nc(C)cc32)C1
InChIInChI=1S/C19H19F3N4O3/c1-11-9-17-25(8-7-16(19(20,21)22)26(17)23-11)18(27)15-10-13(24-29-15)12-5-3-4-6-14(12)28-2/h3-6,9,15-16H,7-8,10H2,1-2H3/t15-,16-/m1/s1
InChIKeyFQPLKJZWCVUJMF-HZPDHXFCSA-N
XLogP3.23
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 29097799) is [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is COc1ccccc1C1=NO[C@@H](C(=O)N2CC[C@H](C(F)(F)F)n3nc(C)cc32)C1.
What is the InChIKey of [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is FQPLKJZWCVUJMF-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-11-9-17-25(8-7-16(19(20,21)22)26(17)23-11)18(27)15-10-13(24-29-15)12-5-3-4-6-14(12)28-2/h3-6,9,15-16H,7-8,10H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 408.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[(7R)-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 29097799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).