1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one

C21H23N3O2 — CID 95284565

IUPAC1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one
SMILESCc1nc(CCC(=O)N2CCn3cccc3[C@@H]2C)oc1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-15-21(17-7-4-3-5-8-17)26-19(22-15)10-11-20(25)24-14-13-23-12-6-9-18(23)16(24)2/h3-9,12,16H,10-11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyNVQZTWKXTZOCMK-INIZCTEOSA-N
MW349.43 g/mol
LogP3.99
Rot. Bonds4

About 1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one

1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 95284565) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one
PubChem CID95284565
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one
SMILESCc1nc(CCC(=O)N2CCn3cccc3[C@@H]2C)oc1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-15-21(17-7-4-3-5-8-17)26-19(22-15)10-11-20(25)24-14-13-23-12-6-9-18(23)16(24)2/h3-9,12,16H,10-11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyNVQZTWKXTZOCMK-INIZCTEOSA-N
XLogP3.99
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 97095023
2-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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CID 99805056
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CID 119423293
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 166435969
3-[3-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 95188441
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one
CID 55718460
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 120748238
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(5-phenylfuran-2-yl)propan-1-one
CID 42947726
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CID 42951721

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one (CID 95284565) is 1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one is Cc1nc(CCC(=O)N2CCn3cccc3[C@@H]2C)oc1-c1ccccc1.
What is the InChIKey of 1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is NVQZTWKXTZOCMK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-21(17-7-4-3-5-8-17)26-19(22-15)10-11-20(25)24-14-13-23-12-6-9-18(23)16(24)2/h3-9,12,16H,10-11,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one?
1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 95284565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).