3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one

C16H17N5O3 — CID 95312675

IUPAC3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
SMILESCc1nnc2n1CCN(C(=O)[C@H](C)n1c(=O)oc3ccccc31)C2
InChIInChI=1S/C16H17N5O3/c1-10(21-12-5-3-4-6-13(12)24-16(21)23)15(22)19-7-8-20-11(2)17-18-14(20)9-19/h3-6,10H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyUSBYGLDYLYNSLU-JTQLQIEISA-N
MW327.34 g/mol
LogP1.10
Rot. Bonds2

About 3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one

3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one (PubChem CID 95312675) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
PubChem CID95312675
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
SMILESCc1nnc2n1CCN(C(=O)[C@H](C)n1c(=O)oc3ccccc31)C2
InChIInChI=1S/C16H17N5O3/c1-10(21-12-5-3-4-6-13(12)24-16(21)23)15(22)19-7-8-20-11(2)17-18-14(20)9-19/h3-6,10H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyUSBYGLDYLYNSLU-JTQLQIEISA-N
XLogP1.10
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18886776
3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184
3-[(2S)-1-[4-(4-methylphenyl)-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 96578085
3-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18142226
3-[1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 24681030
3-[(2S)-1-oxo-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-2-yl]-1,3-benzoxazol-2-one
CID 124752478
3-[1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 134036548
N,N-diethyl-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 55642099
3-[(2R)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propan-2-yl]-1,3-benzoxazol-2-one
CID 51929656
3-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]-1,3-benzoxazol-2-one
CID 134036640
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
3-[1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 55707536

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one (CID 95312675) is 3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one is Cc1nnc2n1CCN(C(=O)[C@H](C)n1c(=O)oc3ccccc31)C2.
What is the InChIKey of 3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one?
The InChIKey is USBYGLDYLYNSLU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10(21-12-5-3-4-6-13(12)24-16(21)23)15(22)19-7-8-20-11(2)17-18-14(20)9-19/h3-6,10H,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one?
3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one has a molecular weight of 327.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 95312675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).