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

C18H19ClN4O2 — CID 110205332

IUPAC3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide
SMILESCc1noc(CNC(=O)CC(Cn2cccc2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4O2/c1-13-21-18(25-22-13)11-20-17(24)10-15(12-23-8-2-3-9-23)14-4-6-16(19)7-5-14/h2-9,15H,10-12H2,1H3,(H,20,24)
InChIKeyQYGSNBZCBRVCBC-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.32
Rot. Bonds7

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

3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide (PubChem CID 110205332) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide
PubChem CID110205332
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide
SMILESCc1noc(CNC(=O)CC(Cn2cccc2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4O2/c1-13-21-18(25-22-13)11-20-17(24)10-15(12-23-8-2-3-9-23)14-4-6-16(19)7-5-14/h2-9,15H,10-12H2,1H3,(H,20,24)
InChIKeyQYGSNBZCBRVCBC-UHFFFAOYSA-N
XLogP3.32
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide (CID 110205332) is 3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide is Cc1noc(CNC(=O)CC(Cn2cccc2)c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide?
The InChIKey is QYGSNBZCBRVCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-13-21-18(25-22-13)11-20-17(24)10-15(12-23-8-2-3-9-23)14-4-6-16(19)7-5-14/h2-9,15H,10-12H2,1H3,(H,20,24).
What are the key properties of 3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide?
3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide has a molecular weight of 358.83 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 110205332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).