[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C23H21N5O2 — CID 172659016

IUPAC[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1Cc2nnc(-c3ccccc3)n2[C@@H](C)C1
InChIInChI=1S/C23H21N5O2/c1-15-13-27(14-19-24-25-22(28(15)19)18-11-7-4-8-12-18)23(29)20-16(2)30-26-21(20)17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
InChIKeyCMFOZQCKFIUZHR-HNNXBMFYSA-N
MW399.45 g/mol
LogP4.13
Rot. Bonds3

About [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 172659016) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID172659016
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1Cc2nnc(-c3ccccc3)n2[C@@H](C)C1
InChIInChI=1S/C23H21N5O2/c1-15-13-27(14-19-24-25-22(28(15)19)18-11-7-4-8-12-18)23(29)20-16(2)30-26-21(20)17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
InChIKeyCMFOZQCKFIUZHR-HNNXBMFYSA-N
XLogP4.13
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898
(2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172672273
1-[4-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone
CID 172674389
1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide
CID 175644040
1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 175644584
2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 175644146
(1-cyclopropylpyrrol-2-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172668182
[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 172672738
(1-hydroxycyclopentyl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 175646082
(2-methoxy-3-pyridinyl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172659988
[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 175646218
[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 172668549

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 172659016) is [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1Cc2nnc(-c3ccccc3)n2[C@@H](C)C1.
What is the InChIKey of [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is CMFOZQCKFIUZHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-13-27(14-19-24-25-22(28(15)19)18-11-7-4-8-12-18)23(29)20-16(2)30-26-21(20)17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 399.45 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 172659016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).