2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide

C15H14N4O2 — CID 53114493

IUPAC2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide
SMILESCc1nnc(-c2cccn2CC(=O)Nc2ccccc2)o1
InChIInChI=1S/C15H14N4O2/c1-11-17-18-15(21-11)13-8-5-9-19(13)10-14(20)16-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,20)
InChIKeyKFHBMAYSSRRTQE-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.49
Rot. Bonds4

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

2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide (PubChem CID 53114493) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide
PubChem CID53114493
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide
SMILESCc1nnc(-c2cccn2CC(=O)Nc2ccccc2)o1
InChIInChI=1S/C15H14N4O2/c1-11-17-18-15(21-11)13-8-5-9-19(13)10-14(20)16-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,20)
InChIKeyKFHBMAYSSRRTQE-UHFFFAOYSA-N
XLogP2.49
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide (CID 53114493) is 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide is Cc1nnc(-c2cccn2CC(=O)Nc2ccccc2)o1.
What is the InChIKey of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide?
The InChIKey is KFHBMAYSSRRTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-17-18-15(21-11)13-8-5-9-19(13)10-14(20)16-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,20).
What are the key properties of 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide?
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide has a molecular weight of 282.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 53114493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).