2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one

C12H15N3O2 — CID 79109764

IUPAC2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one
SMILESCc1noc(Cn2ccc(C(=O)C(C)C)c2)n1
InChIInChI=1S/C12H15N3O2/c1-8(2)12(16)10-4-5-15(6-10)7-11-13-9(3)14-17-11/h4-6,8H,7H2,1-3H3
InChIKeySNMWPELLIFSYIW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.07
Rot. Bonds4

About 2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one

2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one (PubChem CID 79109764) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one
PubChem CID79109764
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one
SMILESCc1noc(Cn2ccc(C(=O)C(C)C)c2)n1
InChIInChI=1S/C12H15N3O2/c1-8(2)12(16)10-4-5-15(6-10)7-11-13-9(3)14-17-11/h4-6,8H,7H2,1-3H3
InChIKeySNMWPELLIFSYIW-UHFFFAOYSA-N
XLogP2.07
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097679
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105108
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carbaldehyde
CID 66409452
1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79109317
cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine
CID 79104347
2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetonitrile
CID 79109579
1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 105372607
1-[1-(2-hydroxypropyl)pyrrol-3-yl]-2-methylpropan-1-one
CID 79097506
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79109925
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79109445
1-[1-[(3-bromophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79108990
2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79108258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one (CID 79109764) is 2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one is Cc1noc(Cn2ccc(C(=O)C(C)C)c2)n1.
What is the InChIKey of 2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one?
The InChIKey is SNMWPELLIFSYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(2)12(16)10-4-5-15(6-10)7-11-13-9(3)14-17-11/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one?
2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one has a molecular weight of 233.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one is sourced from PubChem (CID 79109764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).