3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one

C17H18N4O3 — CID 56887047

IUPAC3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(CCC(=O)N3CCn4cncc4C3)c2c1
InChIInChI=1S/C17H18N4O3/c1-12-2-3-15-14(8-12)21(17(23)24-15)5-4-16(22)19-6-7-20-11-18-9-13(20)10-19/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeyFXCZOGHDJCJQST-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.53
Rot. Bonds3

About 3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one

3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one (PubChem CID 56887047) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one
PubChem CID56887047
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(CCC(=O)N3CCn4cncc4C3)c2c1
InChIInChI=1S/C17H18N4O3/c1-12-2-3-15-14(8-12)21(17(23)24-15)5-4-16(22)19-6-7-20-11-18-9-13(20)10-19/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeyFXCZOGHDJCJQST-UHFFFAOYSA-N
XLogP1.53
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50954745
(2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 125023614
N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 110085995
1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 110085996
3-[3-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one
CID 95221485
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 2145483
N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 131910648
4-[2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzoic acid
CID 82097971
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 119065619
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 91761600
3-[2-[4-(dimethylamino)azepan-1-yl]-2-oxoethyl]-5-methyl-1,3-benzoxazol-2-one
CID 56911720
3-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one
CID 39566728

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one (CID 56887047) is 3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one is Cc1ccc2oc(=O)n(CCC(=O)N3CCn4cncc4C3)c2c1.
What is the InChIKey of 3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one?
The InChIKey is FXCZOGHDJCJQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12-2-3-15-14(8-12)21(17(23)24-15)5-4-16(22)19-6-7-20-11-18-9-13(20)10-19/h2-3,8-9,11H,4-7,10H2,1H3.
What are the key properties of 3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one?
3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one has a molecular weight of 326.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 56887047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).