4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

C14H19N3O3S — CID 70774699

IUPAC4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1c2cccn2CCN1S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H19N3O3S/c1-4-12-13-6-5-7-16(13)8-9-17(12)21(18,19)14-10(2)15-20-11(14)3/h5-7,12H,4,8-9H2,1-3H3
InChIKeyDIULWUPLNCCCMX-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.25
Rot. Bonds3

About 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 70774699) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
PubChem CID70774699
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1c2cccn2CCN1S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H19N3O3S/c1-4-12-13-6-5-7-16(13)8-9-17(12)21(18,19)14-10(2)15-20-11(14)3/h5-7,12H,4,8-9H2,1-3H3
InChIKeyDIULWUPLNCCCMX-UHFFFAOYSA-N
XLogP2.25
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
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3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)-1,2-oxazole
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4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
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3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
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1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-2-carbaldehyde
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1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (CID 70774699) is 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is CCC1c2cccn2CCN1S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is DIULWUPLNCCCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-12-13-6-5-7-16(13)8-9-17(12)21(18,19)14-10(2)15-20-11(14)3/h5-7,12H,4,8-9H2,1-3H3.
What are the key properties of 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 309.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 70774699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).